G4VCN8_SCHMA Loading...

Dihydrolipoyl dehydrogenase

AlphaFold DB , UniProt , Accession G4VCN8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 497 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	46	Very low	41.9	Very low	240 Å²	240	158.5 Å²	158.5	100%	1.182	84%	0.836	S	S	*	*				0	91.7	0	-87.4	169.7	179.5	0	0	108.9
2	V	39.2	Very low	41.8	Very low	137 Å²	137	154.9 Å²	154.9	83%	0.83	83%	0.833	S	S	*	*			trans	46	94.8	148.1	-158.2	0	0	0	0	119.2
3	R	39.5	Very low	41.4	Very low	248 Å²	248	154 Å²	154	94%	0.936	84%	0.837	S	S	*	*			trans	-129.9	122	161.1	-92.7	-179.9	172	-173.9	-2.6	109.4
4	L	44.5	Very low	41.3	Very low	143 Å²	143	155.6 Å²	155.6	75%	0.749	84%	0.839	S	S	*	*			trans	-72.6	126.3	-174.7	-85	97.6	0	0	0	112.4
5	L	40.5	Very low	41.2	Very low	163 Å²	163	158.5 Å²	158.5	85%	0.853	84%	0.841	S	S	*	*				60.4	123.5	103.8	-69.1	156.5	0	0	0	113.2
6	G	39.6	Very low	41.1	Very low	63 Å²	63	155.8 Å²	155.8	65%	0.649	84%	0.838	S	S	*	*			cis	143	135.6	23.2	0	0	0	0	0	105
7	I	46.9	Very low	41	Very low	175 Å²	175	155.7 Å²	155.7	90%	0.897	84%	0.837	S	S	*	*				-176	137.5	114.2	-82.3	160.6	0	0	0	107.8
8	H	38.3	Very low	41	Very low	159 Å²	159	153.7 Å²	153.7	74%	0.736	84%	0.837	S	S	*	*			trans	-77.3	150.2	-172.4	-67.3	16.5	0	0	0	114.5
9	H	44.5	Very low	41	Very low	194 Å²	194	157.4 Å²	157.4	90%	0.898	84%	0.837	S	S	*	*				-148.5	143.3	128.2	-111	27.8	0	0	0	112.8
10	I	43.8	Very low	40.8	Very low	159 Å²	159	153.3 Å²	153.3	82%	0.815	83%	0.834	S	S	*	*			trans	-87.6	147.8	-164.7	-68.5	154	0	0	0	110.1
11	G	38.6	Very low	40.6	Very low	63 Å²	63	154 Å²	154	65%	0.649	84%	0.837	S	S	*	*			trans	150.9	97.5	149.6	0	0	0	0	0	118.7
12	S	40.8	Very low	39.9	Very low	115 Å²	115	147.7 Å²	147.7	80%	0.804	82%	0.816	S	S	*	*			trans	84.2	120.9	142.7	83	0	0	0	0	120.3
13	T	36.3	Very low	39.8	Very low	143 Å²	143	147.4 Å²	147.4	88%	0.877	81%	0.814	S	S	*	*			trans	-67.7	120.4	174	-32.9	0	0	0	0	110.8
14	M	40.4	Very low	39.6	Very low	176 Å²	176	140.4 Å²	140.4	87%	0.867	80%	0.804	S	S	*	*			trans	-128.9	117	161.2	-108.2	-167.4	-103.7	0	0	110.3	S16	M14-S16 PolarHBondContact O-N 3.21Å
15	K	38.8	Very low	39.9	Very low	200 Å²	200	137 Å²	137	87%	0.87	80%	0.796	S	S	*	*			trans	-57.2	111.8	167.6	-70.3	173.3	173.5	177.6	0	108.6
16	S	40.4	Very low	40.6	Very low	114 Å²	114	138 Å²	138	80%	0.797	80%	0.796	S	S	*	*			trans	-85.4	114.5	167.5	63.7	0	0	0	0	109.3	M14 S18	M14-S16 PolarHBondContact O-N 3.21Å; S16-S18 PolarHBondContact O-N 3.21Å
17	L	39.7	Very low	41.9	Very low	155 Å²	155	143 Å²	143	81%	0.812	80%	0.795	S	S	*	*			trans	-63.5	109.7	160.3	-85.1	87.4	0	0	0	107.9	R19	L17-R19 PolarHBondContact O-N 3.25Å
18	S	41	Very low	43.6	Very low	120 Å²	120	137.1 Å²	137.1	84%	0.839	77%	0.765	S	S	*	*			trans	-71.8	84.6	161.7	56.9	0	0	0	0	108.7	S16 G20	S16-S18 PolarHBondContact O-N 3.21Å; S18-G20 PolarHBondContact O-N 2.96Å
19	R	39.3	Very low	46.2	Very low	223 Å²	223	135.8 Å²	135.8	84%	0.842	76%	0.757	S	S	*	*			trans	-64.1	113.1	161	-97.5	179.3	166.5	-170.6	-3.9	107.5	L17 L21	L17-R19 PolarHBondContact O-N 3.25Å; R19-L21 PolarHBondContact O-N 3.06Å; R19-L21 VanDerWaalsContact O-N 3.12Å
20	G	38.1	Very low	48.8	Very low	76 Å²	76	126.5 Å²	126.5	78%	0.784	71%	0.714	S	S	*	*			trans	-57.2	113	170.9	0	0	0	0	0	110.3	S18 S22	S18-G20 PolarHBondContact O-N 2.96Å; G20-S22 VanDerWaalsContact C-N 3.35Å; G20-S22 PolarHBondContact O-N 3.12Å
21	L	35.6	Very low	51.4	Low	168 Å²	168	121 Å²	121	88%	0.88	69%	0.687	S	S	*	*			trans	-68.9	95.7	163.5	-84.3	139.5	0	0	0	107.5	R19 V23	R19-L21 PolarHBondContact O-N 3.06Å; R19-L21 VanDerWaalsContact O-N 3.12Å; L21-V23 PolarHBondContact O-N 3.07Å
22	S	32.8	Very low	54.2	Low	108 Å²	108	118 Å²	118	76%	0.755	66%	0.656	S	S	*	*			trans	-63.4	102.5	159.4	134.5	0	0	0	0	106.8	G20 S24	G20-S22 VanDerWaalsContact C-N 3.35Å; G20-S22 PolarHBondContact O-N 3.12Å; S22-S24 VanDerWaalsContact C-N 3.29Å; S22-S24 PolarHBondContact O-N 3.49Å
23	V	35.4	Very low	57	Low	130 Å²	130	112.5 Å²	112.5	79%	0.788	62%	0.617	S	S	*	*			trans	-66.1	95.2	166	-178.6	0	0	0	0	106.4	L21 A25	L21-V23 PolarHBondContact O-N 3.07Å; V23-A25 PolarHBondContact O-N 2.72Å
24	S	36.1	Very low	60	Low	102 Å²	102	105.7 Å²	105.7	71%	0.713	58%	0.576	S	S	*	*			trans	-67.4	81.8	165.4	164	0	0	0	0	107.5	S22 H26	S22-S24 VanDerWaalsContact C-N 3.29Å; S22-S24 PolarHBondContact O-N 3.49Å; S24-H26 PolarHBondContact O-N 2.94Å
25	A	51.5	Low	62.8	Low	72 Å²	72	97.7 Å²	97.7	60%	0.595	54%	0.536	S	S	*	.			trans	-55.1	123.1	168.1	0	0	0	0	0	107.9	V23 R27	V23-A25 PolarHBondContact O-N 2.72Å; A25-R27 PolarHBondContact O-N 2.86Å
26	H	53.8	Low	65.6	Low	184 Å²	184	88.7 Å²	88.7	85%	0.852	50%	0.5	S	S	*	.			trans	-52.9	104.7	177.3	-85	-73.3	0	0	0	109.3	S24 L28	S24-H26 PolarHBondContact O-N 2.94Å; H26-L28 PolarHBondContact O-N 3.35Å
27	R	67.1	Low	68.4	Low	168 Å²	168	83.3 Å²	83.3	63%	0.634	46%	0.462	S	S	*	.			trans	-75.5	114.8	173.2	-68.8	-173.5	-174.9	-159.2	1.4	108	A25 K29 E149	A25-R27 PolarHBondContact O-N 2.86Å; R27-K29 PolarHBondContact O-N 3.16Å; R27-E149 IonicContact CZ-OE2 2.72Å; R27-E149 IonicContact NH1-OE2 3.05Å; R27-E149 PolarHBondContact NH1-OE2 2.83Å
28	L	83.8	Confident	71.2	Confident	50 Å²	50	76.5 Å²	76.5	26%	0.262	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	133.1	164.2	-74.1	179.5	0	0	0	108.1	H26 V138 E160 I162 A163	H26-L28 PolarHBondContact O-N 3.35Å; L28-V138 HydrophobicContact CD1-CG2 4.14Å; L28-E160 WeakPolarHBondContact CD1-OE1 3.43Å; L28-E160 WeakPolarHBondContact CG-OE1 3.25Å; L28-I162 HydrophobicContact CB-CG1 4.31Å; L28-I162 HydrophobicContact CB-CG2 4.1Å; L28-I162 WeakPolarHBondContact O-CA 3.38Å; L28-A163 PolarHBondContact O-N 2.72Å
29	K	92.9	Very high	74	Confident	131 Å²	131	71.6 Å²	71.6	57%	0.57	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.5	170.5	-172.3	-179.7	177.9	-172.6	0	108.6	R27 K54 A163	R27-K29 PolarHBondContact O-N 3.16Å; K29-K54 VanDerWaalsContact O-CD 3.24Å; K29-K54 WeakPolarHBondContact O-CD 3.25Å; K29-K54 WeakPolarHBondContact O-CE 3.35Å; K29-K54 PolarHBondContact O-NZ 2.79Å; K29-A163 WeakPolarHBondContact CA-O 3.41Å
30	A	97.9	Very high	76.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.7	179.7	0	0	0	0	0	110.9	V32 V33 K54 V56 I162 A163 T164 E165	A30-V32 VanDerWaalsContact C-N 3.33Å; A30-V33 HydrophobicContact CB-CG2 4.13Å; A30-K54 CarbonylContact C-O 3.07Å; A30-V56 HydrophobicContact CB-CB 4.23Å; A30-V56 HydrophobicContact CB-CG2 3.64Å; A30-I162 HydrophobicContact CB-CG2 4.39Å; A30-A163 PolarHBondContact N-O 3.38Å; A30-T164 WeakPolarHBondContact O-CA 3.34Å; A30-T164 WeakPolarHBondContact O-CB 3.11Å; A30-T164 PolarHBondContact O-OG1 2.86Å; A30-E165 PolarHBondContact O-N 3.11Å
31	D	98.6	Very high	79.7	Confident	43 Å²	43	57.6 Å²	57.6	23%	0.23	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-30.7	173.9	-53.9	-36.5	0	0	0	110.7	L53 K54 E165 R166	D31-L53 HydrophobicContact CB-CB 4.14Å; D31-L53 HydrophobicContact CB-CD2 3.82Å; D31-K54 PolarHBondContact N-O 3.38Å; D31-K54 WeakPolarHBondContact OD2-CB 3.4Å; D31-K54 PolarHBondContact OD2-N 3.03Å; D31-E165 WeakPolarHBondContact O-CB 3.33Å; D31-R166 PolarHBondContact O-N 3.31Å; D31-R166 VanDerWaalsContact O-N 3.16Å
32	V	98.8	Very high	82.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	137.1	171.7	62.4	0	0	0	0	111.7	A30 V34 A48 L53 K54 T55 V56 R166 L168 M364	A30-V32 VanDerWaalsContact C-N 3.33Å; V32-V34 HydrophobicContact CG2-CG2 4.41Å; V32-A48 HydrophobicContact CG1-CB 3.8Å; V32-L53 HydrophobicContact CG1-CB 4.21Å; V32-L53 HydrophobicContact CG1-CD1 4.15Å; V32-K54 PolarHBondContact N-O 3.43Å; V32-T55 HydrophobicContact CG1-CG2 3.98Å; V32-V56 PolarHBondContact O-N 2.87Å; V32-R166 WeakPolarHBondContact CA-O 3.39Å; V32-R166 HydrophobicContact CB-CB 4.34Å; V32-R166 HydrophobicContact CG2-CB 4.22Å; V32-L168 HydrophobicContact CG2-CB 4.45Å; V32-M364 HydrophobicContact CG2-SD 4.28Å
33	V	98.8	Very high	85.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.5	167.2	176.1	0	0	0	0	109.3	A30 I35 V56 V58 V150 I162 T164 R166 I167 L168	A30-V33 HydrophobicContact CB-CG2 4.13Å; V33-I35 HydrophobicContact CG1-CG1 4.28Å; V33-V56 CarbonylContact C-O 3.53Å; V33-V56 WeakPolarHBondContact CA-O 3.49Å; V33-V56 HydrophobicContact CG2-CB 4.27Å; V33-V58 HydrophobicContact CG1-CG2 3.98Å; V33-V150 HydrophobicContact CB-CG2 4.26Å; V33-V150 HydrophobicContact CG1-CB 4.21Å; V33-V150 HydrophobicContact CG1-CG1 4.34Å; V33-V150 HydrophobicContact CG1-CG2 3.9Å; V33-I162 HydrophobicContact CG2-CB 4.33Å; V33-I162 HydrophobicContact CG2-CG2 3.59Å; V33-T164 HydrophobicContact CB-CG2 4.14Å; V33-T164 HydrophobicContact CG2-CG2 3.78Å; V33-T164 PolarHBondContact N-OG1 3.02Å; V33-R166 PolarHBondContact N-O 2.85Å; V33-I167 CarbonylContact O-C 3.59Å; V33-I167 WeakPolarHBondContact O-CA 3.38Å; V33-L168 PolarHBondContact O-N 3.42Å
34	V	98.9	Very high	88.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.4	173	-171.4	0	0	0	0	109.3	V32 S45 T55 V56 C57 V58 L168 A170	V32-V34 HydrophobicContact CG2-CG2 4.41Å; V34-S45 WeakPolarHBondContact CB-OG 3.31Å; V34-S45 WeakPolarHBondContact CG2-OG 3.22Å; V34-T55 HydrophobicContact CG2-CG2 4.48Å; V34-V56 PolarHBondContact N-O 3.27Å; V34-C57 CarbonylContact O-C 3.54Å; V34-C57 WeakPolarHBondContact O-CA 3.42Å; V34-V58 PolarHBondContact O-N 3.09Å; V34-L168 CarbonylContact C-O 3.51Å; V34-L168 WeakPolarHBondContact CA-O 3.49Å; V34-L168 HydrophobicContact CG1-CB 4.41Å; V34-L168 HydrophobicContact CG1-CD2 4.24Å; V34-L168 HydrophobicContact CG1-CG 4.32Å; V34-L168 HydrophobicContact CG2-CB 4.21Å; V34-L168 HydrophobicContact CG2-CD2 4.15Å; V34-A170 HydrophobicContact CG1-CB 4.24Å
35	I	98.9	Very high	91.9	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.041	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	107.7	178.3	-50.9	177.1	0	0	0	109	V33 I144 V150 I167 L168 A170 T171 L309	V33-I35 HydrophobicContact CG1-CG1 4.28Å; I35-I144 HydrophobicContact CD1-CD1 4.42Å; I35-I144 HydrophobicContact CD1-CG1 3.88Å; I35-V150 HydrophobicContact CD1-CG1 4.04Å; I35-V150 HydrophobicContact CD1-CG2 4.06Å; I35-V150 HydrophobicContact CG1-CG1 4.45Å; I35-I167 HydrophobicContact CD1-CG2 3.94Å; I35-I167 HydrophobicContact CG1-CG2 4.36Å; I35-L168 PolarHBondContact N-O 3.23Å; I35-A170 CarbonylContact O-C 3.53Å; I35-A170 WeakPolarHBondContact O-CA 3.37Å; I35-A170 PolarHBondContact O-N 2.9Å; I35-T171 HydrophobicContact CB-CG2 4.46Å; I35-T171 HydrophobicContact CG2-CG2 3.91Å; I35-T171 PolarHBondContact O-N 3.47Å; I35-L309 HydrophobicContact CD1-CD1 3.92Å; I35-L309 HydrophobicContact CG2-CD1 3.91Å
36	G	98.8	Very high	94.1	Very high	11 Å²	11	34.1 Å²	34.1	11%	0.113	16%	0.162	C	C	.	.			trans	108.5	135.4	-176.2	0	0	0	0	0	112.4	G41 V58	G36-G41 WeakPolarHBondContact O-CA 3.34Å; G36-V58 WeakPolarHBondContact CA-O 3.38Å; G36-V58 PolarHBondContact N-O 3.38Å
37	S	98.8	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.			trans	-111	24.8	-177.3	73.1	0	0	0	0	114	Y42 E59 L64 G65 G66	S37-Y42 WeakPolarHBondContact O-CD1 3.48Å; S37-E59 WeakPolarHBondContact CB-OE2 3.4Å; S37-E59 PolarHBondContact N-OE2 3.09Å; S37-E59 VanDerWaalsContact OG-CD 3.26Å; S37-E59 VanDerWaalsContact OG-CG 3.25Å; S37-E59 WeakPolarHBondContact OG-CG 3.39Å; S37-E59 PolarHBondContact OG-OE2 3.09Å; S37-L64 WeakPolarHBondContact OG-CA 3.38Å; S37-G65 CarbonylContact O-C 3.58Å; S37-G65 WeakPolarHBondContact O-CA 3.44Å; S37-G65 PolarHBondContact O-N 3.44Å; S37-G65 PolarHBondContact OG-N 3.32Å; S37-G66 PolarHBondContact O-N 3.24Å
38	G	98.8	Very high	97.8	Very high	13 Å²	13	19.5 Å²	19.5	13%	0.134	10%	0.101	C	C	.	.	S	Bend	trans	-64	179.1	169.3	0	0	0	0	0	112.7	G40 G41 Y42	G38-G40 VanDerWaalsContact C-N 3.34Å; G38-G40 PolarHBondContact O-N 3.22Å; G38-G41 PolarHBondContact O-N 3.26Å; G38-Y42 WeakPolarHBondContact O-CD1 3.41Å; G38-Y42 PolarHBondContact O-N 2.8Å
39	P	98.8	Very high	98.5	Very high	16 Å²	16	18 Å²	18	10%	0.104	10%	0.096	C	C	.	.	H	α-helix	trans	-43	-54.8	178.7	-30.9	36.1	0	0	0	113.9	G41 Y42 V43 C68 A350 E354	P39-G41 PolarHBondContact O-N 2.87Å; P39-Y42 VanDerWaalsContact CA-CE1 3.47Å; P39-Y42 HydrophobicContact CB-CE1 4.44Å; P39-V43 VanDerWaalsContact O-CB 3.27Å; P39-V43 WeakPolarHBondContact O-CB 3.26Å; P39-V43 VanDerWaalsContact O-CG2 3.23Å; P39-V43 WeakPolarHBondContact O-CG2 3.44Å; P39-V43 PolarHBondContact O-N 3.06Å; P39-C68 HydrophobicContact CG-CB 3.52Å; P39-A350 HydrophobicContact CB-CB 4.16Å; P39-A350 HydrophobicContact CG-CB 3.91Å; P39-E354 HydrophobicContact CB-CG 3.61Å
40	G	98.8	Very high	98.8	Very high	4 Å²	4	17.3 Å²	17.3	4%	0.041	10%	0.095	C	C	.	.	H	α-helix	trans	-63.1	-38.1	176.7	0	0	0	0	0	114.6	G38 A44 I340 A353	G38-G40 VanDerWaalsContact C-N 3.34Å; G38-G40 PolarHBondContact O-N 3.22Å; G40-A44 WeakPolarHBondContact O-CB 3.4Å; G40-A44 PolarHBondContact O-N 2.95Å; G40-I340 WeakPolarHBondContact O-CD1 3.49Å; G40-A353 VanDerWaalsContact CA-C 3.44Å; G40-A353 WeakPolarHBondContact CA-O 3.42Å
41	G	98.9	Very high	98.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-72.5	-48.5	-175.9	0	0	0	0	0	113.8	G36 G38 P39 S45	G36-G41 WeakPolarHBondContact O-CA 3.34Å; G38-G41 PolarHBondContact O-N 3.26Å; P39-G41 PolarHBondContact O-N 2.87Å; G41-S45 WeakPolarHBondContact O-CB 3.32Å; G41-S45 PolarHBondContact O-N 2.93Å; G41-S45 PolarHBondContact O-OG 3.37Å
42	Y	98.8	Very high	98.8	Very high	41 Å²	41	21.5 Å²	21.5	16%	0.161	13%	0.132	C	C	.	.	H	α-helix	trans	-72.3	-35.8	-179.9	81.4	-107.7	0	0	0	111.8	S37 G38 P39 S45 I46 I126 E354	S37-Y42 WeakPolarHBondContact O-CD1 3.48Å; G38-Y42 WeakPolarHBondContact O-CD1 3.41Å; G38-Y42 PolarHBondContact O-N 2.8Å; P39-Y42 VanDerWaalsContact CA-CE1 3.47Å; P39-Y42 HydrophobicContact CB-CE1 4.44Å; Y42-S45 PolarHBondContact O-N 2.78Å; Y42-I46 HydrophobicContact CD2-CD1 4.03Å; Y42-I46 WeakPolarHBondContact O-CG1 3.47Å; Y42-I46 PolarHBondContact O-N 2.92Å; Y42-I126 HydrophobicContact CD1-CD1 3.71Å; Y42-I126 HydrophobicContact CD1-CG2 4.5Å; Y42-I126 HydrophobicContact CD2-CD1 4.45Å; Y42-I126 HydrophobicContact CD2-CG1 4.47Å; Y42-I126 HydrophobicContact CD2-CG2 4.19Å; Y42-I126 HydrophobicContact CE1-CD1 3.63Å; Y42-I126 HydrophobicContact CE1-CG1 4.48Å; Y42-I126 HydrophobicContact CE2-CD1 4.44Å; Y42-I126 HydrophobicContact CE2-CG1 4.47Å; Y42-I126 HydrophobicContact CG-CD1 4.15Å; Y42-I126 HydrophobicContact CG-CG2 3.98Å; Y42-E354 PolarHBondContact OH-OE1 2.92Å
43	V	98.9	Very high	98.8	Very high	26 Å²	26	22.4 Å²	22.4	16%	0.158	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-45.6	175.3	172.8	0	0	0	0	110.4	P39 S45 I46 K47 E354 I358	P39-V43 VanDerWaalsContact O-CB 3.27Å; P39-V43 WeakPolarHBondContact O-CB 3.26Å; P39-V43 VanDerWaalsContact O-CG2 3.23Å; P39-V43 WeakPolarHBondContact O-CG2 3.44Å; P39-V43 PolarHBondContact O-N 3.06Å; V43-S45 VanDerWaalsContact C-N 3.3Å; V43-S45 PolarHBondContact O-N 2.9Å; V43-I46 PolarHBondContact O-N 3.41Å; V43-K47 WeakPolarHBondContact O-CB 3.46Å; V43-K47 PolarHBondContact O-N 2.98Å; V43-E354 HydrophobicContact CB-CG 4.49Å; V43-E354 HydrophobicContact CG1-CB 4.46Å; V43-E354 HydrophobicContact CG2-CB 4.28Å; V43-E354 HydrophobicContact CG2-CG 3.85Å; V43-I358 HydrophobicContact CG1-CD1 3.91Å; V43-I358 HydrophobicContact CG1-CG1 3.55Å
44	A	98.9	Very high	98.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-41.6	174.2	0	0	0	0	0	112	G40 K47 A48 L168 I340 V361	G40-A44 WeakPolarHBondContact O-CB 3.4Å; G40-A44 PolarHBondContact O-N 2.95Å; A44-K47 PolarHBondContact O-N 3.25Å; A44-A48 VanDerWaalsContact O-CB 3.27Å; A44-A48 WeakPolarHBondContact O-CB 3.27Å; A44-A48 PolarHBondContact O-N 3.15Å; A44-L168 HydrophobicContact CB-CD2 3.4Å; A44-I340 HydrophobicContact CB-CD1 4.25Å; A44-V361 HydrophobicContact CB-CG2 3.89Å
45	S	98.9	Very high	98.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-45.9	178.4	-58.8	0	0	0	0	112	V34 G41 Y42 V43 A48 A49 V135	V34-S45 WeakPolarHBondContact CB-OG 3.31Å; V34-S45 WeakPolarHBondContact CG2-OG 3.22Å; G41-S45 WeakPolarHBondContact O-CB 3.32Å; G41-S45 PolarHBondContact O-N 2.93Å; G41-S45 PolarHBondContact O-OG 3.37Å; Y42-S45 PolarHBondContact O-N 2.78Å; V43-S45 VanDerWaalsContact C-N 3.3Å; V43-S45 PolarHBondContact O-N 2.9Å; S45-A48 PolarHBondContact O-N 3.21Å; S45-A49 PolarHBondContact O-N 2.63Å; S45-A49 VanDerWaalsContact O-N 3.16Å; S45-V135 WeakPolarHBondContact O-CG2 3.33Å
46	I	98.9	Very high	98.7	Very high	20 Å²	20	26.9 Å²	26.9	10%	0.103	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-48.2	176.4	-71.4	166.7	0	0	0	110.1	Y42 V43 A48 A49 Q50 L129 F130	Y42-I46 HydrophobicContact CD2-CD1 4.03Å; Y42-I46 WeakPolarHBondContact O-CG1 3.47Å; Y42-I46 PolarHBondContact O-N 2.92Å; V43-I46 PolarHBondContact O-N 3.41Å; I46-A48 VanDerWaalsContact C-N 3.33Å; I46-A48 PolarHBondContact O-N 2.88Å; I46-A49 PolarHBondContact O-N 2.88Å; I46-Q50 HydrophobicContact CG2-CG 4.42Å; I46-Q50 VanDerWaalsContact O-CG 3.3Å; I46-Q50 WeakPolarHBondContact O-CG 3.35Å; I46-Q50 PolarHBondContact O-N 2.61Å; I46-L129 HydrophobicContact CD1-CB 3.81Å; I46-L129 HydrophobicContact CD1-CD1 4.18Å; I46-F130 HydrophobicContact CD1-CD1 4.35Å; I46-F130 HydrophobicContact CD1-CE1 4.4Å; I46-F130 HydrophobicContact CG1-CD1 3.99Å; I46-F130 HydrophobicContact CG1-CE1 4.06Å
47	K	98.8	Very high	98.7	Very high	45 Å²	45	26.3 Å²	26.3	20%	0.196	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-40.9	-179.7	-175.2	65.8	178.6	-162	0	111.9	V43 A44 A49 Q50 L51 I358 V361 E362	V43-K47 WeakPolarHBondContact O-CB 3.46Å; V43-K47 PolarHBondContact O-N 2.98Å; A44-K47 PolarHBondContact O-N 3.25Å; K47-A49 PolarHBondContact O-N 2.82Å; K47-Q50 WeakPolarHBondContact O-CB 3.4Å; K47-Q50 PolarHBondContact O-N 2.87Å; K47-L51 HydrophobicContact CG-CD1 4.35Å; K47-L51 WeakPolarHBondContact O-CG 3.26Å; K47-L51 PolarHBondContact O-N 3.33Å; K47-I358 HydrophobicContact CD-CG2 4.26Å; K47-I358 HydrophobicContact CG-CG2 4.28Å; K47-V361 HydrophobicContact CG-CG1 4.29Å; K47-E362 WeakPolarHBondContact CE-OE1 3.38Å; K47-E362 IonicContact NZ-OE1 3.93Å; K47-E362 PolarHBondContact NZ-OE1 3.44Å
48	A	98.9	Very high	98.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-46.5	178	0	0	0	0	0	111.6	V32 A44 S45 I46 Q50 L51 G52 L53 T55 V361	V32-A48 HydrophobicContact CG1-CB 3.8Å; A44-A48 VanDerWaalsContact O-CB 3.27Å; A44-A48 WeakPolarHBondContact O-CB 3.27Å; A44-A48 PolarHBondContact O-N 3.15Å; S45-A48 PolarHBondContact O-N 3.21Å; I46-A48 VanDerWaalsContact C-N 3.33Å; I46-A48 PolarHBondContact O-N 2.88Å; A48-Q50 VanDerWaalsContact C-N 3.34Å; A48-Q50 PolarHBondContact O-N 2.83Å; A48-L51 CarbonylContact O-C 3.57Å; A48-L51 PolarHBondContact O-N 2.88Å; A48-L51 VanDerWaalsContact O-N 3.16Å; A48-G52 PolarHBondContact O-N 2.98Å; A48-L53 HydrophobicContact CB-CB 4.29Å; A48-L53 HydrophobicContact CB-CD1 4.18Å; A48-L53 WeakPolarHBondContact O-CB 3.38Å; A48-L53 PolarHBondContact O-N 2.87Å; A48-T55 HydrophobicContact CB-CG2 4.19Å; A48-T55 VanDerWaalsContact CB-OG1 3.31Å; A48-T55 WeakPolarHBondContact CB-OG1 3.49Å; A48-V361 HydrophobicContact CB-CG1 3.61Å; A48-V361 HydrophobicContact CB-CG2 4.36Å
49	A	98.7	Very high	98.7	Very high	20 Å²	20	26.4 Å²	26.4	17%	0.165	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-37.2	176.8	0	0	0	0	0	112.7	S45 I46 K47 L51 G52 L53 T55 N133 V135	S45-A49 PolarHBondContact O-N 2.63Å; S45-A49 VanDerWaalsContact O-N 3.16Å; I46-A49 PolarHBondContact O-N 2.88Å; K47-A49 PolarHBondContact O-N 2.82Å; A49-L51 VanDerWaalsContact C-N 3.27Å; A49-L51 PolarHBondContact O-N 3.31Å; A49-G52 PolarHBondContact O-N 3.48Å; A49-L53 WeakPolarHBondContact CA-O 3.4Å; A49-T55 PolarHBondContact N-OG1 2.99Å; A49-N133 HydrophobicContact CB-CB 4.24Å; A49-N133 WeakPolarHBondContact CB-O 3.31Å; A49-V135 HydrophobicContact CB-CG2 3.81Å
50	Q	98.7	Very high	98.7	Very high	115 Å²	115	30.2 Å²	30.2	54%	0.537	16%	0.163	S	C	.	.	H	α-helix	trans	-63.2	-32.3	173.1	-72.7	172.9	-4.2	0	0	112.9	I46 K47 A48 G52 N133	I46-Q50 HydrophobicContact CG2-CG 4.42Å; I46-Q50 VanDerWaalsContact O-CG 3.3Å; I46-Q50 WeakPolarHBondContact O-CG 3.35Å; I46-Q50 PolarHBondContact O-N 2.61Å; K47-Q50 WeakPolarHBondContact O-CB 3.4Å; K47-Q50 PolarHBondContact O-N 2.87Å; A48-Q50 VanDerWaalsContact C-N 3.34Å; A48-Q50 PolarHBondContact O-N 2.83Å; Q50-G52 PolarHBondContact O-N 3.07Å; Q50-N133 VanDerWaalsContact CG-OD1 3.31Å; Q50-N133 WeakPolarHBondContact CG-OD1 3.03Å; Q50-N133 PolarHBondContact NE2-OD1 2.77Å
51	L	98.6	Very high	98.6	Very high	68 Å²	68	32.9 Å²	32.9	36%	0.356	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	8.7	174	-62.2	178	0	0	0	113.3	K47 A48 A49 V361 E362 L365	K47-L51 HydrophobicContact CG-CD1 4.35Å; K47-L51 WeakPolarHBondContact O-CG 3.26Å; K47-L51 PolarHBondContact O-N 3.33Å; A48-L51 CarbonylContact O-C 3.57Å; A48-L51 PolarHBondContact O-N 2.88Å; A48-L51 VanDerWaalsContact O-N 3.16Å; A49-L51 VanDerWaalsContact C-N 3.27Å; A49-L51 PolarHBondContact O-N 3.31Å; L51-V361 HydrophobicContact CD1-CG1 4.04Å; L51-E362 HydrophobicContact CD1-CG 3.93Å; L51-L365 HydrophobicContact CB-CD1 3.45Å; L51-L365 VanDerWaalsContact CB-CD1 3.45Å; L51-L365 HydrophobicContact CD1-CD1 3.81Å; L51-L365 HydrophobicContact CG-CD1 4.2Å
52	G	98.2	Very high	98.5	Very high	64 Å²	64	41.6 Å²	41.6	66%	0.66	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	6.8	172.4	0	0	0	0	0	115.3	A48 A49 Q50	A48-G52 PolarHBondContact O-N 2.98Å; A49-G52 PolarHBondContact O-N 3.48Å; Q50-G52 PolarHBondContact O-N 3.07Å
53	L	98.5	Very high	98.4	Very high	19 Å²	19	42.5 Å²	42.5	10%	0.099	23%	0.226	C	C	.	.			trans	-79.5	131.2	175.8	-62.9	-179.8	0	0	0	110.9	D31 V32 A48 A49 T55 L365	D31-L53 HydrophobicContact CB-CB 4.14Å; D31-L53 HydrophobicContact CB-CD2 3.82Å; V32-L53 HydrophobicContact CG1-CB 4.21Å; V32-L53 HydrophobicContact CG1-CD1 4.15Å; A48-L53 HydrophobicContact CB-CB 4.29Å; A48-L53 HydrophobicContact CB-CD1 4.18Å; A48-L53 WeakPolarHBondContact O-CB 3.38Å; A48-L53 PolarHBondContact O-N 2.87Å; A49-L53 WeakPolarHBondContact CA-O 3.4Å; L53-T55 PolarHBondContact O-N 3.2Å; L53-T55 PolarHBondContact O-OG1 2.79Å; L53-L365 HydrophobicContact CD1-CD1 4.42Å; L53-L365 HydrophobicContact CD1-CD2 4.39Å; L53-L365 HydrophobicContact CD1-CG 4.45Å; L53-L365 HydrophobicContact CD2-CD2 3.94Å; L53-L365 HydrophobicContact CG-CD1 4.36Å; L53-L365 HydrophobicContact CG-CD2 4.39Å
54	K	98.5	Very high	98.4	Very high	99 Å²	99	41.6 Å²	41.6	43%	0.43	22%	0.221	S	C	.	.			trans	-65.5	109.5	166	-173.9	175.7	178.7	-164.5	0	109	K29 A30 D31 V32	K29-K54 VanDerWaalsContact O-CD 3.24Å; K29-K54 WeakPolarHBondContact O-CD 3.25Å; K29-K54 WeakPolarHBondContact O-CE 3.35Å; K29-K54 PolarHBondContact O-NZ 2.79Å; A30-K54 CarbonylContact C-O 3.07Å; D31-K54 PolarHBondContact N-O 3.38Å; D31-K54 WeakPolarHBondContact OD2-CB 3.4Å; D31-K54 PolarHBondContact OD2-N 3.03Å; V32-K54 PolarHBondContact N-O 3.43Å
55	T	98.8	Very high	98.4	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.5	-167.1	-59.4	0	0	0	0	110.6	V32 V34 A48 A49 L53 V135 D136	V32-T55 HydrophobicContact CG1-CG2 3.98Å; V34-T55 HydrophobicContact CG2-CG2 4.48Å; A48-T55 HydrophobicContact CB-CG2 4.19Å; A48-T55 VanDerWaalsContact CB-OG1 3.31Å; A48-T55 WeakPolarHBondContact CB-OG1 3.49Å; A49-T55 PolarHBondContact N-OG1 2.99Å; L53-T55 PolarHBondContact O-N 3.2Å; L53-T55 PolarHBondContact O-OG1 2.79Å; T55-V135 HydrophobicContact CG2-CG1 4.14Å; T55-V135 HydrophobicContact CG2-CG2 4.44Å; T55-D136 PolarHBondContact O-N 3.21Å
56	V	98.7	Very high	98.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.8	168.2	176.6	0	0	0	0	109.3	A30 V32 V33 V34 V58 D136 V138 I162	A30-V56 HydrophobicContact CB-CB 4.23Å; A30-V56 HydrophobicContact CB-CG2 3.64Å; V32-V56 PolarHBondContact O-N 2.87Å; V33-V56 CarbonylContact C-O 3.53Å; V33-V56 WeakPolarHBondContact CA-O 3.49Å; V33-V56 HydrophobicContact CG2-CB 4.27Å; V34-V56 PolarHBondContact N-O 3.27Å; V56-V58 HydrophobicContact CG1-CG2 4.35Å; V56-D136 CarbonylContact C-O 3.2Å; V56-D136 VanDerWaalsContact CA-O 3.29Å; V56-D136 WeakPolarHBondContact CA-O 3.44Å; V56-D136 HydrophobicContact CB-CB 4.48Å; V56-D136 HydrophobicContact CG2-CB 3.87Å; V56-V138 HydrophobicContact CG1-CB 4.49Å; V56-V138 HydrophobicContact CG1-CG2 3.68Å; V56-I162 HydrophobicContact CG1-CD1 3.87Å; V56-I162 HydrophobicContact CG2-CG2 4.42Å
57	C	98.8	Very high	98.3	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.8	171.6	-177.3	0	0	0	0	109.9	V34 F130 V135 D136 H137 V138	V34-C57 CarbonylContact O-C 3.54Å; V34-C57 WeakPolarHBondContact O-CA 3.42Å; C57-F130 HydrophobicContact CB-CE2 3.57Å; C57-F130 HydrophobicContact CB-CZ 3.8Å; C57-V135 HydrophobicContact CB-CG1 3.97Å; C57-D136 PolarHBondContact N-O 3.12Å; C57-H137 WeakPolarHBondContact O-CA 3.44Å; C57-V138 PolarHBondContact O-N 2.89Å
58	V	98.8	Very high	98.3	Very high	2 Å²	2	42 Å²	42	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.4	178.7	-177.7	0	0	0	0	109.6	V33 V34 G36 V56 V138 G140 V152 I162	V33-V58 HydrophobicContact CG1-CG2 3.98Å; V34-V58 PolarHBondContact O-N 3.09Å; G36-V58 WeakPolarHBondContact CA-O 3.38Å; G36-V58 PolarHBondContact N-O 3.38Å; V56-V58 HydrophobicContact CG1-CG2 4.35Å; V58-V138 WeakPolarHBondContact CA-O 3.42Å; V58-V138 HydrophobicContact CG2-CB 4.47Å; V58-G140 WeakPolarHBondContact CG1-O 3.37Å; V58-V152 HydrophobicContact CG1-CG1 3.88Å; V58-V152 HydrophobicContact CG1-CG2 3.87Å; V58-V152 HydrophobicContact CG2-CG2 3.77Å; V58-I162 HydrophobicContact CG2-CD1 4.08Å
59	E	98.7	Very high	98.2	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.056	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.9	175.9	174.9	54.6	-112	0	0	109.7	S37 N61 L64 V138 N139 G140	S37-E59 WeakPolarHBondContact CB-OE2 3.4Å; S37-E59 PolarHBondContact N-OE2 3.09Å; S37-E59 VanDerWaalsContact OG-CD 3.26Å; S37-E59 VanDerWaalsContact OG-CG 3.25Å; S37-E59 WeakPolarHBondContact OG-CG 3.39Å; S37-E59 PolarHBondContact OG-OE2 3.09Å; E59-N61 HydrophobicContact CG-CB 4.22Å; E59-N61 WeakPolarHBondContact OE1-CB 3.4Å; E59-N61 VanDerWaalsContact OE1-CG 3.29Å; E59-N61 PolarHBondContact OE1-N 2.75Å; E59-L64 HydrophobicContact CB-CD2 3.93Å; E59-L64 HydrophobicContact CG-CD2 4.27Å; E59-V138 PolarHBondContact N-O 3.22Å; E59-N139 CarbonylContact O-C 3.31Å; E59-N139 VanDerWaalsContact O-CA 3.29Å; E59-N139 WeakPolarHBondContact O-CA 3.41Å; E59-N139 PolarHBondContact O-OD1 2.99Å; E59-G140 CarbonylContact C-O 3.58Å; E59-G140 VanDerWaalsContact C-O 3.31Å; E59-G140 PolarHBondContact O-N 2.89Å
60	K	98	Very high	98.2	Very high	97 Å²	97	43.2 Å²	43.2	42%	0.422	23%	0.234	S	C	.	.			trans	-89.1	-22	-178.2	67.2	178.2	-177.8	63.9	0	113.2	G140 F141	K60-G140 WeakPolarHBondContact CA-O 3.36Å; K60-G140 PolarHBondContact N-O 2.7Å; K60-F141 HydrophobicContact CB-CB 4.47Å; K60-F141 HydrophobicContact CB-CD2 4.3Å; K60-F141 HydrophobicContact CD-CD2 3.76Å; K60-F141 HydrophobicContact CD-CE2 3.98Å
61	N	97.5	Very high	98.1	Very high	60 Å²	60	40 Å²	40	32%	0.321	22%	0.222	S	C	.	.	S	Bend	trans	-82.1	160.9	179.3	-59.8	-17.3	0	0	0	110.7	E59 T63	E59-N61 HydrophobicContact CG-CB 4.22Å; E59-N61 WeakPolarHBondContact OE1-CB 3.4Å; E59-N61 VanDerWaalsContact OE1-CG 3.29Å; E59-N61 PolarHBondContact OE1-N 2.75Å; N61-T63 PolarHBondContact O-N 2.9Å
62	E	95.8	Very high	98	Very high	184 Å²	184	37.7 Å²	37.7	86%	0.86	21%	0.214	S	C	*	.	S	Bend	trans	-63.2	-31.2	-179	-62.5	-176.9	170.9	0	0	113.5
63	T	97.7	Very high	98	Very high	59 Å²	59	36.6 Å²	36.6	36%	0.362	20%	0.196	S	C	.	.	S	Bend	trans	-122.9	150	-178.3	50.2	0	0	0	0	111.7	N61 N70	N61-T63 PolarHBondContact O-N 2.9Å; T63-N70 PolarHBondContact OG1-OD1 3.25Å
64	L	98.5	Very high	97.9	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.042	20%	0.204	C	C	.	.	S	Bend	trans	-73.5	171.8	174.3	-59.4	172.2	0	0	0	111.8	S37 E59 N70 T123 I126 A127 F130	S37-L64 WeakPolarHBondContact OG-CA 3.38Å; E59-L64 HydrophobicContact CB-CD2 3.93Å; E59-L64 HydrophobicContact CG-CD2 4.27Å; L64-N70 PolarHBondContact O-ND2 2.81Å; L64-T123 WeakPolarHBondContact O-CG2 3.3Å; L64-I126 HydrophobicContact CB-CB 4.27Å; L64-I126 HydrophobicContact CB-CG2 3.84Å; L64-I126 HydrophobicContact CD1-CG2 3.83Å; L64-I126 HydrophobicContact CG-CG2 4.48Å; L64-A127 HydrophobicContact CD1-CB 4.35Å; L64-F130 HydrophobicContact CD1-CD2 3.6Å; L64-F130 HydrophobicContact CD1-CE2 3.69Å; L64-F130 HydrophobicContact CD1-CG 4.27Å; L64-F130 HydrophobicContact CD1-CZ 4.44Å; L64-F130 HydrophobicContact CD2-CE2 4.04Å
65	G	98.3	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	98.7	-2.9	173.6	0	0	0	0	0	115	S37 L69	S37-G65 CarbonylContact O-C 3.58Å; S37-G65 WeakPolarHBondContact O-CA 3.44Å; S37-G65 PolarHBondContact O-N 3.44Å; S37-G65 PolarHBondContact OG-N 3.32Å; G65-L69 WeakPolarHBondContact O-CB 3.22Å; G65-L69 PolarHBondContact O-N 3.45Å
66	G	98.4	Very high	97.9	Very high	7 Å²	7	33.9 Å²	33.9	7%	0.072	19%	0.186	C	C	.	.	H	α-helix	trans	54.3	-150.3	174.2	0	0	0	0	0	114.4	S37 N70	S37-G66 PolarHBondContact O-N 3.24Å; G66-N70 WeakPolarHBondContact O-CB 3.24Å; G66-N70 PolarHBondContact O-N 3.31Å; G66-N70 PolarHBondContact O-ND2 2.79Å
67	T	98.5	Very high	97.8	Very high	43 Å²	43	36.5 Å²	36.5	26%	0.264	20%	0.197	S	C	.	.	H	α-helix	trans	-59.9	-49.7	-177	-54.7	0	0	0	0	112.5	L69 N70 V71 G72 R302	T67-L69 VanDerWaalsContact C-N 3.3Å; T67-L69 PolarHBondContact O-N 3.28Å; T67-N70 PolarHBondContact O-N 2.92Å; T67-V71 HydrophobicContact CG2-CG2 4.01Å; T67-V71 CarbonylContact O-C 3.58Å; T67-V71 VanDerWaalsContact O-C 3.31Å; T67-V71 PolarHBondContact O-N 2.82Å; T67-G72 WeakPolarHBondContact O-CA 2.96Å; T67-G72 PolarHBondContact O-N 2.82Å; T67-R302 PolarHBondContact OG1-NH2 3.49Å
68	C	97.7	Very high	97.8	Very high	22 Å²	22	37.5 Å²	37.5	15%	0.149	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-42.5	-170.5	-176.2	0	0	0	0	112.2	P39 G72 C73 I74 A350	P39-C68 HydrophobicContact CG-CB 3.52Å; C68-G72 CarbonylContact O-C 3.47Å; C68-C73 WeakPolarHBondContact CA-SG 3.39Å; C68-C73 HydrophobicContact CB-CB 4.24Å; C68-C73 WeakPolarHBondContact CB-SG 3.3Å; C68-C73 PolarHBondContact O-N 2.92Å; C68-C73 WeakPolarHBondContact SG-CB 3.42Å; C68-C73 CovalentContact SG-SG 2.05Å; C68-C73 PolarHBondContact SG-SG 2.75Å; C68-I74 PolarHBondContact O-N 3.38Å; C68-I74 VanDerWaalsContact O-N 3.08Å; C68-A350 HydrophobicContact CB-CB 4.41Å
69	L	96.6	Very high	97.8	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.073	20%	0.204	C	C	.	.	H	α-helix	trans	-81.8	-41.8	-177.1	-177.1	51.6	0	0	0	113	G65 T67 I74 P75 V119 L122 T123 I126	G65-L69 WeakPolarHBondContact O-CB 3.22Å; G65-L69 PolarHBondContact O-N 3.45Å; T67-L69 VanDerWaalsContact C-N 3.3Å; T67-L69 PolarHBondContact O-N 3.28Å; L69-I74 HydrophobicContact CD1-CB 3.93Å; L69-I74 HydrophobicContact CD1-CG1 3.51Å; L69-I74 HydrophobicContact CD1-CG2 4.1Å; L69-P75 WeakPolarHBondContact O-CD 3.5Å; L69-V119 WeakPolarHBondContact O-CG2 3.17Å; L69-L122 HydrophobicContact CD1-CB 3.44Å; L69-L122 VanDerWaalsContact CD1-CB 3.44Å; L69-L122 HydrophobicContact CD1-CD1 3.92Å; L69-L122 HydrophobicContact CD1-CG 4.33Å; L69-L122 HydrophobicContact CD2-CB 4.08Å; L69-L122 HydrophobicContact CG-CB 4.39Å; L69-T123 HydrophobicContact CD2-CG2 3.48Å; L69-T123 VanDerWaalsContact CD2-CG2 3.48Å; L69-T123 HydrophobicContact CG-CG2 3.64Å; L69-I126 HydrophobicContact CD2-CD1 3.43Å; L69-I126 VanDerWaalsContact CD2-CD1 3.43Å; L69-I126 HydrophobicContact CD2-CG1 4.33Å
70	N	98.1	Very high	97.8	Very high	33 Å²	33	37.3 Å²	37.3	18%	0.176	20%	0.204	C	C	.	.	H	α-helix	trans	-87.4	-39.9	-171.1	-64.3	-78.3	0	0	0	113.3	T63 L64 G66 T67 T123	T63-N70 PolarHBondContact OG1-OD1 3.25Å; L64-N70 PolarHBondContact O-ND2 2.81Å; G66-N70 WeakPolarHBondContact O-CB 3.24Å; G66-N70 PolarHBondContact O-N 3.31Å; G66-N70 PolarHBondContact O-ND2 2.79Å; T67-N70 PolarHBondContact O-N 2.92Å; N70-T123 WeakPolarHBondContact OD1-CG2 3.43Å
71	V	97.5	Very high	97.9	Very high	48 Å²	48	36.8 Å²	36.8	29%	0.291	21%	0.206	S	C	.	.	H	α-helix	trans	-141.6	25.5	-168.8	-63.4	0	0	0	0	113.2	T67 T192	T67-V71 HydrophobicContact CG2-CG2 4.01Å; T67-V71 CarbonylContact O-C 3.58Å; T67-V71 VanDerWaalsContact O-C 3.31Å; T67-V71 PolarHBondContact O-N 2.82Å; V71-T192 HydrophobicContact CB-CG2 4.39Å; V71-T192 HydrophobicContact CG1-CG2 3.94Å
72	G	97.6	Very high	97.9	Very high	18 Å²	18	35.7 Å²	35.7	19%	0.186	20%	0.199	C	C	.	.	S	Bend	trans	-142.5	-114.5	-172.6	0	0	0	0	0	113.5	T67 C68 P75 S76	T67-G72 WeakPolarHBondContact O-CA 2.96Å; T67-G72 PolarHBondContact O-N 2.82Å; C68-G72 CarbonylContact O-C 3.47Å; G72-P75 WeakPolarHBondContact O-CD 3.33Å; G72-P75 WeakPolarHBondContact O-CG 3.33Å; G72-S76 WeakPolarHBondContact O-CB 3.35Å; G72-S76 PolarHBondContact O-N 3.49Å; G72-S76 VanDerWaalsContact O-N 3.1Å; G72-S76 PolarHBondContact O-OG 3.34Å
73	C	96.6	Very high	98	Very high	42 Å²	42	26.9 Å²	26.9	28%	0.284	16%	0.159	S	C	.	.	H	α-helix	trans	-53	-59.6	-173.1	-35.5	0	0	0	0	113.1	C68 S76 K77	C68-C73 WeakPolarHBondContact CA-SG 3.39Å; C68-C73 HydrophobicContact CB-CB 4.24Å; C68-C73 WeakPolarHBondContact CB-SG 3.3Å; C68-C73 PolarHBondContact O-N 2.92Å; C68-C73 WeakPolarHBondContact SG-CB 3.42Å; C68-C73 CovalentContact SG-SG 2.05Å; C68-C73 PolarHBondContact SG-SG 2.75Å; C73-S76 PolarHBondContact O-N 2.82Å; C73-S76 PolarHBondContact O-OG 3.4Å; C73-K77 WeakPolarHBondContact O-CB 3.39Å; C73-K77 WeakPolarHBondContact O-CD 3.35Å; C73-K77 PolarHBondContact O-N 2.85Å
74	I	97.6	Very high	98.1	Very high	54 Å²	54	25.5 Å²	25.5	28%	0.277	15%	0.148	S	C	.	.	H	α-helix	trans	-62.8	-49.6	-173.6	-61.9	-52	0	0	0	112.7	C68 L69 S76 K77 S78 A118 V119 L122	C68-I74 PolarHBondContact O-N 3.38Å; C68-I74 VanDerWaalsContact O-N 3.08Å; L69-I74 HydrophobicContact CD1-CB 3.93Å; L69-I74 HydrophobicContact CD1-CG1 3.51Å; L69-I74 HydrophobicContact CD1-CG2 4.1Å; I74-S76 PolarHBondContact O-N 2.99Å; I74-K77 PolarHBondContact O-N 3.19Å; I74-S78 WeakPolarHBondContact O-CB 3.25Å; I74-S78 PolarHBondContact O-N 3.26Å; I74-A118 HydrophobicContact CG2-CB 4.32Å; I74-V119 HydrophobicContact CG2-CG2 4.09Å; I74-L122 HydrophobicContact CD1-CD1 3.99Å; I74-L122 HydrophobicContact CG1-CD1 3.97Å; I74-L122 HydrophobicContact CG2-CD1 3.77Å
75	P	98.1	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-38.5	179.1	22.9	-33.4	0	0	0	112.8	L69 G72 L79 K115 V119 L195	L69-P75 WeakPolarHBondContact O-CD 3.5Å; G72-P75 WeakPolarHBondContact O-CD 3.33Å; G72-P75 WeakPolarHBondContact O-CG 3.33Å; P75-L79 WeakPolarHBondContact O-CG 3.48Å; P75-L79 PolarHBondContact O-N 3.25Å; P75-L79 VanDerWaalsContact O-N 3.16Å; P75-K115 HydrophobicContact CB-CD 3.7Å; P75-K115 HydrophobicContact CB-CG 3.71Å; P75-V119 HydrophobicContact CB-CG2 4.25Å; P75-L195 HydrophobicContact CB-CD1 4.02Å; P75-L195 HydrophobicContact CB-CD2 4.14Å; P75-L195 HydrophobicContact CG-CD1 3.75Å
76	S	97.9	Very high	98	Very high	8 Å²	8	31.3 Å²	31.3	6%	0.056	18%	0.176	C	C	.	.	H	α-helix	trans	-64.8	-43.9	176.4	54.4	0	0	0	0	112	G72 C73 I74 S78 L79 L80	G72-S76 WeakPolarHBondContact O-CB 3.35Å; G72-S76 PolarHBondContact O-N 3.49Å; G72-S76 VanDerWaalsContact O-N 3.1Å; G72-S76 PolarHBondContact O-OG 3.34Å; C73-S76 PolarHBondContact O-N 2.82Å; C73-S76 PolarHBondContact O-OG 3.4Å; I74-S76 PolarHBondContact O-N 2.99Å; S76-S78 PolarHBondContact O-N 2.86Å; S76-L79 PolarHBondContact O-N 2.7Å; S76-L80 WeakPolarHBondContact O-CB 3.42Å; S76-L80 VanDerWaalsContact O-CG 3.32Å; S76-L80 WeakPolarHBondContact O-CG 3.42Å; S76-L80 PolarHBondContact O-N 2.89Å
77	K	98.4	Very high	97.9	Very high	55 Å²	55	32.8 Å²	32.8	24%	0.239	18%	0.181	C	C	.	.	H	α-helix	trans	-68.3	-36.2	-178.7	-85.8	68.8	-159.5	163.6	0	111.7	C73 I74 L80 N81 E215 Y381	C73-K77 WeakPolarHBondContact O-CB 3.39Å; C73-K77 WeakPolarHBondContact O-CD 3.35Å; C73-K77 PolarHBondContact O-N 2.85Å; I74-K77 PolarHBondContact O-N 3.19Å; K77-L80 PolarHBondContact O-N 2.77Å; K77-N81 WeakPolarHBondContact O-CB 3.48Å; K77-N81 PolarHBondContact O-N 3.11Å; K77-E215 IonicContact NZ-OE1 2.68Å; K77-E215 PolarHBondContact NZ-OE1 3.21Å; K77-E215 IonicContact NZ-OE2 2.72Å; K77-E215 PolarHBondContact NZ-OE2 3.39Å; K77-Y381 HydrophobicContact CD-CD2 4.28Å; K77-Y381 HydrophobicContact CD-CG 4.32Å; K77-Y381 VanDerWaalsContact CE-CE2 3.43Å; K77-Y381 HydrophobicContact CG-CD1 4.29Å; K77-Y381 HydrophobicContact CG-CG 4.2Å
78	S	98.6	Very high	97.7	Very high	22 Å²	22	31.8 Å²	31.8	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-46.6	171.9	-174.3	0	0	0	0	111.8	I74 S76 N82 K115	I74-S78 WeakPolarHBondContact O-CB 3.25Å; I74-S78 PolarHBondContact O-N 3.26Å; S76-S78 PolarHBondContact O-N 2.86Å; S78-N82 WeakPolarHBondContact O-CB 3.32Å; S78-N82 PolarHBondContact O-N 2.84Å; S78-N82 PolarHBondContact O-ND2 2.94Å; S78-K115 WeakPolarHBondContact OG-CA 3.29Å
79	L	98.7	Very high	97.6	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-71	-36.7	178.4	-66.8	-178.1	0	0	0	113	P75 S76 N82 S83 M111 L112 K115 L195 V219	P75-L79 WeakPolarHBondContact O-CG 3.48Å; P75-L79 PolarHBondContact O-N 3.25Å; P75-L79 VanDerWaalsContact O-N 3.16Å; S76-L79 PolarHBondContact O-N 2.7Å; L79-N82 PolarHBondContact O-N 2.82Å; L79-S83 WeakPolarHBondContact O-CB 3.37Å; L79-S83 PolarHBondContact O-N 2.93Å; L79-S83 PolarHBondContact O-OG 2.79Å; L79-M111 HydrophobicContact CD2-CG 3.99Å; L79-M111 HydrophobicContact CD2-SD 4.29Å; L79-L112 HydrophobicContact CD2-CD2 4.31Å; L79-K115 HydrophobicContact CD1-CD 4.16Å; L79-K115 HydrophobicContact CD2-CB 4.3Å; L79-K115 HydrophobicContact CD2-CD 4.37Å; L79-K115 HydrophobicContact CG-CD 4.12Å; L79-K115 HydrophobicContact CG-CG 4.44Å; L79-L195 HydrophobicContact CD1-CD2 3.89Å; L79-V219 HydrophobicContact CB-CG1 3.9Å; L79-V219 HydrophobicContact CB-CG2 4.06Å
80	L	98.7	Very high	97.5	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-49	174.1	-79	161	0	0	0	111.2	S76 K77 S83 H84 E215 V219 Y381	S76-L80 WeakPolarHBondContact O-CB 3.42Å; S76-L80 VanDerWaalsContact O-CG 3.32Å; S76-L80 WeakPolarHBondContact O-CG 3.42Å; S76-L80 PolarHBondContact O-N 2.89Å; K77-L80 PolarHBondContact O-N 2.77Å; L80-S83 PolarHBondContact O-OG 2.88Å; L80-S83 VanDerWaalsContact O-OG 3.07Å; L80-H84 VanDerWaalsContact O-CB 3.27Å; L80-H84 WeakPolarHBondContact O-CB 3.38Å; L80-H84 PolarHBondContact O-N 3.23Å; L80-E215 HydrophobicContact CD1-CB 4.04Å; L80-E215 HydrophobicContact CD1-CG 3.92Å; L80-E215 HydrophobicContact CD2-CB 4.33Å; L80-V219 HydrophobicContact CB-CG2 4.4Å; L80-V219 HydrophobicContact CD2-CG2 3.7Å; L80-V219 HydrophobicContact CG-CG2 3.73Å; L80-Y381 WeakPolarHBondContact CD1-O 3.4Å
81	N	98.5	Very high	97.2	Very high	87 Å²	87	36.2 Å²	36.2	47%	0.465	20%	0.2	S	C	.	.	H	α-helix	trans	-59.6	-51.8	176.2	179.4	76.9	0	0	0	111.4	K77 S83 H84 L85	K77-N81 WeakPolarHBondContact O-CB 3.48Å; K77-N81 PolarHBondContact O-N 3.11Å; N81-S83 PolarHBondContact O-N 3.01Å; N81-H84 PolarHBondContact O-N 2.85Å; N81-L85 WeakPolarHBondContact O-CG 3.34Å; N81-L85 PolarHBondContact O-N 3.15Å
82	N	98.5	Very high	96.8	Very high	36 Å²	36	36.6 Å²	36.6	19%	0.193	21%	0.205	C	C	.	.	H	α-helix	trans	-68.4	-36.2	-175.2	-64.1	-15.6	0	0	0	112.7	S78 L79 Y86 M111	S78-N82 WeakPolarHBondContact O-CB 3.32Å; S78-N82 PolarHBondContact O-N 2.84Å; S78-N82 PolarHBondContact O-ND2 2.94Å; L79-N82 PolarHBondContact O-N 2.82Å; N82-Y86 PolarHBondContact O-N 2.68Å; N82-M111 HydrophobicContact CB-CE 3.99Å; N82-M111 HydrophobicContact CB-CG 3.85Å; N82-M111 HydrophobicContact CB-SD 3.97Å
83	S	98.6	Very high	96.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-71.8	-31.7	175.1	63.3	0	0	0	0	112.5	L79 L80 N81 Y86 Q87	L79-S83 WeakPolarHBondContact O-CB 3.37Å; L79-S83 PolarHBondContact O-N 2.93Å; L79-S83 PolarHBondContact O-OG 2.79Å; L80-S83 PolarHBondContact O-OG 2.88Å; L80-S83 VanDerWaalsContact O-OG 3.07Å; N81-S83 PolarHBondContact O-N 3.01Å; S83-Y86 PolarHBondContact O-N 2.84Å; S83-Q87 WeakPolarHBondContact O-CB 3.29Å; S83-Q87 PolarHBondContact O-N 3.45Å
84	H	98	Very high	96.5	Very high	29 Å²	29	38.2 Å²	38.2	13%	0.134	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-46.7	171.5	175.7	55.7	0	0	0	111.4	L80 N81 Y86 Q87 L88 H383	L80-H84 VanDerWaalsContact O-CB 3.27Å; L80-H84 WeakPolarHBondContact O-CB 3.38Å; L80-H84 PolarHBondContact O-N 3.23Å; N81-H84 PolarHBondContact O-N 2.85Å; H84-Y86 VanDerWaalsContact C-N 3.27Å; H84-Y86 PolarHBondContact O-N 2.81Å; H84-Q87 WeakPolarHBondContact O-CA 3.43Å; H84-Q87 WeakPolarHBondContact O-CB 3.24Å; H84-Q87 PolarHBondContact O-N 2.82Å; H84-L88 WeakPolarHBondContact O-CG 3.28Å; H84-L88 PolarHBondContact O-N 2.85Å; H84-H383 AromaticContact CE1-CD2 3.5Å; H84-H383 AromaticContact CE1-CE1 3.36Å; H84-H383 PolarHBondContact CE1-CE1 3.22Å; H84-H383 AromaticContact CE1-CG 3.45Å; H84-H383 VanDerWaalsContact CE1-CG 3.45Å; H84-H383 AromaticContact CE1-ND1 3.37Å; H84-H383 PolarHBondContact CE1-ND1 3.36Å; H84-H383 AromaticContact CE1-NE2 3.46Å; H84-H383 PolarHBondContact CE1-NE2 3.41Å; H84-H383 AromaticContact ND1-CD2 3.96Å; H84-H383 AromaticContact ND1-CG 3.68Å; H84-H383 AromaticContact ND1-ND1 3.92Å; H84-H383 AromaticContact NE2-CE1 3.44Å; H84-H383 PolarHBondContact NE2-CE1 2.94Å; H84-H383 AromaticContact NE2-CG 4Å; H84-H383 AromaticContact NE2-ND1 3.46Å; H84-H383 PolarHBondContact NE2-ND1 3.19Å; H84-H383 AromaticContact NE2-NE2 3.99Å
85	L	97.4	Very high	96.3	Very high	89 Å²	89	41.2 Å²	41.2	47%	0.466	22%	0.217	S	C	.	.	H	α-helix	trans	-57.3	-41.4	173.2	-67.3	176	0	0	0	112	N81 L88 V89	N81-L85 WeakPolarHBondContact O-CG 3.34Å; N81-L85 PolarHBondContact O-N 3.15Å; L85-L88 HydrophobicContact CD2-CD1 4.39Å; L85-L88 PolarHBondContact O-N 2.88Å; L85-V89 PolarHBondContact O-N 2.93Å
86	Y	97.9	Very high	96.1	Very high	42 Å²	42	47.7 Å²	47.7	17%	0.165	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-44.7	173.4	177.1	-100.7	0	0	0	111.8	N82 S83 H84 L88 V89 N90 F104 L106 R222 L223	N82-Y86 PolarHBondContact O-N 2.68Å; S83-Y86 PolarHBondContact O-N 2.84Å; H84-Y86 VanDerWaalsContact C-N 3.27Å; H84-Y86 PolarHBondContact O-N 2.81Å; Y86-L88 PolarHBondContact O-N 2.72Å; Y86-V89 PolarHBondContact O-N 3.38Å; Y86-N90 HydrophobicContact CD1-CB 4.34Å; Y86-N90 HydrophobicContact CE1-CB 4.02Å; Y86-N90 WeakPolarHBondContact O-CB 3.33Å; Y86-N90 PolarHBondContact O-N 2.57Å; Y86-F104 HydrophobicContact CD2-CD2 4.49Å; Y86-F104 HydrophobicContact CE2-CD2 4.02Å; Y86-F104 AromaticContact CE2-CE2 3.88Å; Y86-F104 HydrophobicContact CE2-CE2 3.88Å; Y86-L106 HydrophobicContact CD2-CB 4.47Å; Y86-L106 HydrophobicContact CD2-CD1 4.45Å; Y86-L106 HydrophobicContact CE2-CB 3.85Å; Y86-R222 WeakPolarHBondContact CD1-O 3.34Å; Y86-R222 WeakPolarHBondContact CE1-O 3.37Å; Y86-L223 HydrophobicContact CD1-CD2 3.81Å; Y86-L223 HydrophobicContact CE1-CD2 4.42Å; Y86-L223 HydrophobicContact CG-CD2 4.14Å
87	Q	96.5	Very high	96	Very high	37 Å²	37	52 Å²	52	17%	0.173	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-41.8	177.3	-178.5	-175.1	7.5	0	0	112.6	S83 H84 V89 N90 S91 R222	S83-Q87 WeakPolarHBondContact O-CB 3.29Å; S83-Q87 PolarHBondContact O-N 3.45Å; H84-Q87 WeakPolarHBondContact O-CA 3.43Å; H84-Q87 WeakPolarHBondContact O-CB 3.24Å; H84-Q87 PolarHBondContact O-N 2.82Å; Q87-V89 VanDerWaalsContact C-N 3.28Å; Q87-V89 PolarHBondContact O-N 2.88Å; Q87-N90 CarbonylContact O-C 3.29Å; Q87-N90 PolarHBondContact O-N 3.46Å; Q87-S91 VanDerWaalsContact O-CB 3.28Å; Q87-S91 WeakPolarHBondContact O-CB 3.07Å; Q87-S91 PolarHBondContact O-N 3.09Å; Q87-S91 PolarHBondContact O-OG 2.84Å; Q87-R222 HydrophobicContact CB-CB 4.24Å; Q87-R222 HydrophobicContact CB-CG 4.08Å; Q87-R222 HydrophobicContact CG-CG 4.32Å; Q87-R222 VanDerWaalsContact OE1-CD 3.29Å; Q87-R222 VanDerWaalsContact OE1-CG 3.27Å
88	L	95	Very high	95.9	Very high	23 Å²	23	52.5 Å²	52.5	12%	0.12	28%	0.282	C	S	.	.	H	α-helix	trans	-57.9	-43.1	178.1	-69	176.5	0	0	0	111.3	H84 L85 Y86 S91 E93 M94	H84-L88 WeakPolarHBondContact O-CG 3.28Å; H84-L88 PolarHBondContact O-N 2.85Å; L85-L88 HydrophobicContact CD2-CD1 4.39Å; L85-L88 PolarHBondContact O-N 2.88Å; Y86-L88 PolarHBondContact O-N 2.72Å; L88-S91 PolarHBondContact O-OG 2.97Å; L88-E93 WeakPolarHBondContact CD2-OE2 3.34Å; L88-M94 HydrophobicContact CB-CE 3.67Å; L88-M94 HydrophobicContact CD1-CE 4.18Å; L88-M94 WeakPolarHBondContact O-CG 3.45Å
89	V	95.7	Very high	95.8	Very high	38 Å²	38	55.4 Å²	55.4	23%	0.23	30%	0.295	C	S	.	.	H	α-helix	trans	-75.5	-35.5	177.4	176	0	0	0	0	112.1	L85 Y86 Q87 S91 M94 I101 F104	L85-V89 PolarHBondContact O-N 2.93Å; Y86-V89 PolarHBondContact O-N 3.38Å; Q87-V89 VanDerWaalsContact C-N 3.28Å; Q87-V89 PolarHBondContact O-N 2.88Å; V89-S91 VanDerWaalsContact C-N 3.25Å; V89-S91 PolarHBondContact O-N 2.96Å; V89-M94 HydrophobicContact CG2-CE 4.38Å; V89-M94 HydrophobicContact CG2-CG 4.35Å; V89-I101 HydrophobicContact CB-CD1 4.23Å; V89-I101 HydrophobicContact CG1-CD1 3.64Å; V89-I101 HydrophobicContact CG1-CG2 4.18Å; V89-I101 HydrophobicContact CG2-CD1 3.84Å; V89-F104 HydrophobicContact CG1-CB 3.96Å; V89-F104 HydrophobicContact CG1-CD1 3.46Å; V89-F104 VanDerWaalsContact CG1-CD1 3.46Å; V89-F104 HydrophobicContact CG1-CD2 3.64Å; V89-F104 HydrophobicContact CG1-CE1 3.86Å; V89-F104 HydrophobicContact CG1-CE2 4.03Å; V89-F104 HydrophobicContact CG1-CG 3.37Å; V89-F104 HydrophobicContact CG1-CZ 4.16Å
90	N	93.7	Very high	95.6	Very high	84 Å²	84	61.8 Å²	61.8	45%	0.449	33%	0.329	S	S	.	.	H	α-helix	trans	-82.3	1.7	-178.2	-164.7	58.7	0	0	0	114.3	Y86 Q87 F104	Y86-N90 HydrophobicContact CD1-CB 4.34Å; Y86-N90 HydrophobicContact CE1-CB 4.02Å; Y86-N90 WeakPolarHBondContact O-CB 3.33Å; Y86-N90 PolarHBondContact O-N 2.57Å; Q87-N90 CarbonylContact O-C 3.29Å; Q87-N90 PolarHBondContact O-N 3.46Å; N90-F104 VanDerWaalsContact CA-CZ 3.47Å; N90-F104 HydrophobicContact CB-CE2 3.68Å; N90-F104 HydrophobicContact CB-CZ 3.85Å; N90-F104 WeakPolarHBondContact OD1-CE2 3.33Å; N90-F104 VanDerWaalsContact OD1-CZ 3.22Å; N90-F104 WeakPolarHBondContact OD1-CZ 3.17Å
91	S	91.2	Very high	95.4	Very high	40 Å²	40	64.4 Å²	64.4	28%	0.28	34%	0.343	S	S	.	.	S	Bend	trans	-114.7	178.2	174.5	68.1	0	0	0	0	110.3	Q87 L88 V89 E93	Q87-S91 VanDerWaalsContact O-CB 3.28Å; Q87-S91 WeakPolarHBondContact O-CB 3.07Å; Q87-S91 PolarHBondContact O-N 3.09Å; Q87-S91 PolarHBondContact O-OG 2.84Å; L88-S91 PolarHBondContact O-OG 2.97Å; V89-S91 VanDerWaalsContact C-N 3.25Å; V89-S91 PolarHBondContact O-N 2.96Å; S91-E93 PolarHBondContact O-N 2.89Å; S91-E93 WeakPolarHBondContact OG-CB 3.11Å; S91-E93 WeakPolarHBondContact OG-CG 3.49Å; S91-E93 PolarHBondContact OG-N 2.86Å
92	S	90.5	Very high	95	Very high	56 Å²	56	69.8 Å²	69.8	39%	0.392	37%	0.365	S	S	.	.	S	Bend	trans	-77.6	-0.1	174.6	64.3	0	0	0	0	113.4	M94 Q95 H96	S92-M94 PolarHBondContact O-N 2.87Å; S92-Q95 WeakPolarHBondContact O-CB 3.25Å; S92-Q95 PolarHBondContact O-N 3.49Å; S92-H96 PolarHBondContact O-CD2 3.17Å; S92-H96 VanDerWaalsContact O-CG 3.23Å; S92-H96 PolarHBondContact O-N 2.68Å; S92-H96 PolarHBondContact OG-CE1 3.13Å; S92-H96 PolarHBondContact OG-NE2 2.87Å
93	E	92.7	Very high	94.7	Very high	56 Å²	56	73.1 Å²	73.1	26%	0.262	39%	0.391	S	S	.	.	H	α-helix	trans	-62.7	-40.5	-174.3	-69.7	-177.2	-143.9	0	0	113	L88 S91 H96 R97	L88-E93 WeakPolarHBondContact CD2-OE2 3.34Å; S91-E93 PolarHBondContact O-N 2.89Å; S91-E93 WeakPolarHBondContact OG-CB 3.11Å; S91-E93 WeakPolarHBondContact OG-CG 3.49Å; S91-E93 PolarHBondContact OG-N 2.86Å; E93-H96 PolarHBondContact O-N 3.33Å; E93-R97 VanDerWaalsContact O-CG 3.3Å; E93-R97 WeakPolarHBondContact O-CG 3.38Å; E93-R97 PolarHBondContact O-N 2.83Å
94	M	94.5	Very high	94.4	Very high	37 Å²	37	77.2 Å²	77.2	18%	0.182	41%	0.409	C	S	.	.	H	α-helix	trans	-65.5	-40.5	175.4	-72.5	-70.1	172.9	0	0	112	L88 V89 S92 H96 R97 G98 I99 I101	L88-M94 HydrophobicContact CB-CE 3.67Å; L88-M94 HydrophobicContact CD1-CE 4.18Å; L88-M94 WeakPolarHBondContact O-CG 3.45Å; V89-M94 HydrophobicContact CG2-CE 4.38Å; V89-M94 HydrophobicContact CG2-CG 4.35Å; S92-M94 PolarHBondContact O-N 2.87Å; M94-H96 PolarHBondContact O-N 2.85Å; M94-R97 CarbonylContact O-C 3.52Å; M94-R97 WeakPolarHBondContact O-CA 3.43Å; M94-R97 WeakPolarHBondContact O-CB 3.46Å; M94-R97 PolarHBondContact O-N 2.85Å; M94-G98 PolarHBondContact O-N 3.19Å; M94-I99 CarbonylContact C-O 3.49Å; M94-I99 HydrophobicContact CB-CB 4.35Å; M94-I99 PolarHBondContact O-N 3.06Å; M94-I99 HydrophobicContact SD-CB 4.46Å; M94-I99 HydrophobicContact SD-CD1 4.01Å; M94-I99 HydrophobicContact SD-CG2 4.45Å; M94-I101 HydrophobicContact CB-CD1 4.24Å; M94-I101 HydrophobicContact CG-CD1 4.15Å
95	Q	93.5	Very high	94.3	Very high	118 Å²	118	84.7 Å²	84.7	55%	0.551	44%	0.441	S	S	*	.	H	α-helix	trans	-64	-40.5	177	-67.1	173.3	-5	0	0	111.5	S92 R97 G98	S92-Q95 WeakPolarHBondContact O-CB 3.25Å; S92-Q95 PolarHBondContact O-N 3.49Å; Q95-R97 PolarHBondContact O-N 3.37Å; Q95-R97 VanDerWaalsContact O-N 3.17Å; Q95-G98 PolarHBondContact O-N 2.81Å
96	H	93.8	Very high	94.4	Very high	135 Å²	135	82.7 Å²	82.7	63%	0.625	43%	0.431	S	S	*	.	H	α-helix	trans	-62.2	-22	174.5	-64	171	0	0	0	113	S92 E93 M94	S92-H96 PolarHBondContact O-CD2 3.17Å; S92-H96 VanDerWaalsContact O-CG 3.23Å; S92-H96 PolarHBondContact O-N 2.68Å; S92-H96 PolarHBondContact OG-CE1 3.13Å; S92-H96 PolarHBondContact OG-NE2 2.87Å; E93-H96 PolarHBondContact O-N 3.33Å; M94-H96 PolarHBondContact O-N 2.85Å
97	R	95.3	Very high	94.4	Very high	100 Å²	100	85 Å²	85	38%	0.377	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	7.2	175.5	-61.8	169.6	-165.8	-82.6	4.1	113	E93 M94 Q95 I99 N419	E93-R97 VanDerWaalsContact O-CG 3.3Å; E93-R97 WeakPolarHBondContact O-CG 3.38Å; E93-R97 PolarHBondContact O-N 2.83Å; M94-R97 CarbonylContact O-C 3.52Å; M94-R97 WeakPolarHBondContact O-CA 3.43Å; M94-R97 WeakPolarHBondContact O-CB 3.46Å; M94-R97 PolarHBondContact O-N 2.85Å; Q95-R97 PolarHBondContact O-N 3.37Å; Q95-R97 VanDerWaalsContact O-N 3.17Å; R97-I99 VanDerWaalsContact C-N 3.3Å; R97-I99 HydrophobicContact CB-CD1 4.31Å; R97-I99 HydrophobicContact CB-CG1 4.48Å; R97-I99 PolarHBondContact O-N 2.81Å; R97-N419 VanDerWaalsContact CZ-O 3.29Å; R97-N419 PolarHBondContact NH1-O 2.93Å; R97-N419 PolarHBondContact NH2-O 3.29Å
98	G	96	Very high	94.5	Very high	64 Å²	64	83.8 Å²	83.8	66%	0.66	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	23.4	-177.9	0	0	0	0	0	113.7	M94 Q95	M94-G98 PolarHBondContact O-N 3.19Å; Q95-G98 PolarHBondContact O-N 2.81Å
99	I	96.8	Very high	94.6	Very high	83 Å²	83	87.2 Å²	87.2	43%	0.426	46%	0.464	S	S	.	.			trans	-108.7	96.8	177.9	-57.8	168.7	0	0	0	108	M94 R97 I101	M94-I99 CarbonylContact C-O 3.49Å; M94-I99 HydrophobicContact CB-CB 4.35Å; M94-I99 PolarHBondContact O-N 3.06Å; M94-I99 HydrophobicContact SD-CB 4.46Å; M94-I99 HydrophobicContact SD-CD1 4.01Å; M94-I99 HydrophobicContact SD-CG2 4.45Å; R97-I99 VanDerWaalsContact C-N 3.3Å; R97-I99 HydrophobicContact CB-CD1 4.31Å; R97-I99 HydrophobicContact CB-CG1 4.48Å; R97-I99 PolarHBondContact O-N 2.81Å; I99-I101 HydrophobicContact CG2-CD1 4.37Å; I99-I101 HydrophobicContact CG2-CG1 4.18Å
100	D	94.8	Very high	94.8	Very high	136 Å²	136	87.8 Å²	87.8	73%	0.727	47%	0.473	S	S	*	.			trans	-81.6	126.9	175.6	-66.8	-44.6	0	0	0	110.8
101	I	94.3	Very high	95	Very high	62 Å²	62	84.9 Å²	84.9	32%	0.318	46%	0.457	S	S	.	.			trans	-120.5	102.8	178.6	-59.8	172.8	0	0	0	107.5	V89 M94 I99 S103 F104	V89-I101 HydrophobicContact CB-CD1 4.23Å; V89-I101 HydrophobicContact CG1-CD1 3.64Å; V89-I101 HydrophobicContact CG1-CG2 4.18Å; V89-I101 HydrophobicContact CG2-CD1 3.84Å; M94-I101 HydrophobicContact CB-CD1 4.24Å; M94-I101 HydrophobicContact CG-CD1 4.15Å; I99-I101 HydrophobicContact CG2-CD1 4.37Å; I99-I101 HydrophobicContact CG2-CG1 4.18Å; I101-S103 VanDerWaalsContact C-N 3.32Å; I101-S103 PolarHBondContact O-N 2.94Å; I101-F104 HydrophobicContact CG2-CB 4.27Å; I101-F104 HydrophobicContact CG2-CD1 4.01Å
102	E	90.8	Very high	95.3	Very high	201 Å²	201	83.9 Å²	83.9	94%	0.939	45%	0.448	S	S	*	.	S	Bend	trans	-63.6	-36.3	-174.9	-64.6	-176	168.7	0	0	113.2
103	S	91.7	Very high	95.7	Very high	106 Å²	106	88.4 Å²	88.4	74%	0.741	46%	0.461	S	S	*	.			trans	-154.5	144	175.9	67.6	0	0	0	0	112.2	I101	I101-S103 VanDerWaalsContact C-N 3.32Å; I101-S103 PolarHBondContact O-N 2.94Å
104	F	93.3	Very high	96	Very high	86 Å²	86	87.9 Å²	87.9	38%	0.377	47%	0.466	S	S	.	.			trans	-152.3	159.8	169.9	66.1	-79.5	0	0	0	108.1	Y86 V89 N90 I101	Y86-F104 HydrophobicContact CD2-CD2 4.49Å; Y86-F104 HydrophobicContact CE2-CD2 4.02Å; Y86-F104 AromaticContact CE2-CE2 3.88Å; Y86-F104 HydrophobicContact CE2-CE2 3.88Å; V89-F104 HydrophobicContact CG1-CB 3.96Å; V89-F104 HydrophobicContact CG1-CD1 3.46Å; V89-F104 VanDerWaalsContact CG1-CD1 3.46Å; V89-F104 HydrophobicContact CG1-CD2 3.64Å; V89-F104 HydrophobicContact CG1-CE1 3.86Å; V89-F104 HydrophobicContact CG1-CE2 4.03Å; V89-F104 HydrophobicContact CG1-CG 3.37Å; V89-F104 HydrophobicContact CG1-CZ 4.16Å; N90-F104 VanDerWaalsContact CA-CZ 3.47Å; N90-F104 HydrophobicContact CB-CE2 3.68Å; N90-F104 HydrophobicContact CB-CZ 3.85Å; N90-F104 WeakPolarHBondContact OD1-CE2 3.33Å; N90-F104 VanDerWaalsContact OD1-CZ 3.22Å; N90-F104 WeakPolarHBondContact OD1-CZ 3.17Å; I101-F104 HydrophobicContact CG2-CB 4.27Å; I101-F104 HydrophobicContact CG2-CD1 4.01Å
105	K	95.6	Very high	96.2	Very high	185 Å²	185	86.8 Å²	86.8	80%	0.804	46%	0.461	S	S	*	.			trans	-149.2	149.6	175.4	65	-177	179.9	-176.9	0	110.6	N107	K105-N107 PolarHBondContact O-N 2.97Å
106	L	98.1	Very high	96.4	Very high	48 Å²	48	86.1 Å²	86.1	25%	0.251	46%	0.457	S	S	.	.			trans	-67.4	123.9	170.5	179	59.2	0	0	0	109.8	Y86 L108 M111 V200 L223	Y86-L106 HydrophobicContact CD2-CB 4.47Å; Y86-L106 HydrophobicContact CD2-CD1 4.45Å; Y86-L106 HydrophobicContact CE2-CB 3.85Å; L106-L108 HydrophobicContact CD2-CB 4.44Å; L106-L108 HydrophobicContact CG-CB 4.29Å; L106-M111 HydrophobicContact CD1-CE 3.64Å; L106-V200 HydrophobicContact CD2-CG2 3.55Å; L106-L223 HydrophobicContact CD1-CD2 3.84Å; L106-L223 HydrophobicContact CD2-CB 4.16Å; L106-L223 HydrophobicContact CD2-CD2 4.23Å
107	N	98	Very high	96.6	Very high	89 Å²	89	87.2 Å²	87.2	48%	0.476	46%	0.46	S	S	.	.			trans	-110.1	83.2	164.6	-174.8	-18.7	0	0	0	108.5	K105 P109 A110 M111	K105-N107 PolarHBondContact O-N 2.97Å; N107-P109 WeakPolarHBondContact OD1-CD 3.37Å; N107-A110 HydrophobicContact CB-CB 4.07Å; N107-A110 VanDerWaalsContact CG-CB 3.46Å; N107-A110 PolarHBondContact O-N 3.02Å; N107-A110 WeakPolarHBondContact OD1-CB 3.33Å; N107-A110 PolarHBondContact OD1-N 2.87Å; N107-A110 VanDerWaalsContact OD1-N 3.1Å; N107-M111 PolarHBondContact O-N 2.84Å
108	L	98.5	Very high	96.7	Very high	13 Å²	13	84 Å²	84	7%	0.068	46%	0.455	C	S	.	.	H	α-helix	trans	-58.8	-43.9	-176.9	-178.8	63	0	0	0	112.7	L106 A110 M111 L112 V200 W220 L223	L106-L108 HydrophobicContact CD2-CB 4.44Å; L106-L108 HydrophobicContact CG-CB 4.29Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 2.82Å; L108-M111 WeakPolarHBondContact O-CB 3.36Å; L108-M111 PolarHBondContact O-N 3.24Å; L108-M111 VanDerWaalsContact O-N 3.08Å; L108-L112 HydrophobicContact CD1-CD1 4.44Å; L108-L112 HydrophobicContact CD1-CD2 4.47Å; L108-L112 HydrophobicContact CD1-CG 4.14Å; L108-L112 HydrophobicContact CG-CD1 4.18Å; L108-L112 HydrophobicContact CG-CG 4.34Å; L108-L112 WeakPolarHBondContact O-CG 3.38Å; L108-L112 PolarHBondContact O-N 3.21Å; L108-V200 HydrophobicContact CD2-CG2 4.31Å; L108-W220 HydrophobicContact CD1-CH2 4.18Å; L108-W220 HydrophobicContact CD1-CZ3 4.23Å; L108-W220 HydrophobicContact CD2-CH2 4.41Å; L108-W220 HydrophobicContact CD2-CZ3 4.26Å; L108-L223 HydrophobicContact CD1-CD1 4.35Å
109	P	98.5	Very high	96.8	Very high	95 Å²	95	81.7 Å²	81.7	62%	0.617	43%	0.428	S	S	*	.	H	α-helix	trans	-55.8	-41.1	174.3	-28	35.7	0	0	0	113.8	N107 K113	N107-P109 WeakPolarHBondContact OD1-CD 3.37Å; P109-K113 WeakPolarHBondContact O-CB 3.25Å; P109-K113 PolarHBondContact O-N 3.49Å
110	A	98.4	Very high	96.9	Very high	49 Å²	49	81 Å²	81	41%	0.405	43%	0.431	S	S	.	.	H	α-helix	trans	-68.3	-37.3	176.3	0	0	0	0	0	112.4	N107 L108 K113 A114	N107-A110 HydrophobicContact CB-CB 4.07Å; N107-A110 VanDerWaalsContact CG-CB 3.46Å; N107-A110 PolarHBondContact O-N 3.02Å; N107-A110 WeakPolarHBondContact OD1-CB 3.33Å; N107-A110 PolarHBondContact OD1-N 2.87Å; N107-A110 VanDerWaalsContact OD1-N 3.1Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 2.82Å; A110-K113 PolarHBondContact O-N 3.16Å; A110-A114 PolarHBondContact O-N 2.9Å
111	M	98.6	Very high	97.1	Very high	24 Å²	24	78.7 Å²	78.7	12%	0.118	43%	0.425	C	S	.	.	H	α-helix	trans	-64.1	-44.4	175.9	-173.5	178.8	-68	0	0	111.8	L79 N82 L106 N107 L108 A114 K115 L223	L79-M111 HydrophobicContact CD2-CG 3.99Å; L79-M111 HydrophobicContact CD2-SD 4.29Å; N82-M111 HydrophobicContact CB-CE 3.99Å; N82-M111 HydrophobicContact CB-CG 3.85Å; N82-M111 HydrophobicContact CB-SD 3.97Å; L106-M111 HydrophobicContact CD1-CE 3.64Å; N107-M111 PolarHBondContact O-N 2.84Å; L108-M111 WeakPolarHBondContact O-CB 3.36Å; L108-M111 PolarHBondContact O-N 3.24Å; L108-M111 VanDerWaalsContact O-N 3.08Å; M111-A114 WeakPolarHBondContact O-CB 3.45Å; M111-A114 PolarHBondContact O-N 3.44Å; M111-K115 PolarHBondContact O-N 2.96Å; M111-K115 VanDerWaalsContact O-N 3.14Å; M111-L223 HydrophobicContact CE-CD2 3.87Å; M111-L223 HydrophobicContact SD-CD1 4.1Å; M111-L223 HydrophobicContact SD-CD2 4.09Å
112	L	98.5	Very high	97.2	Very high	19 Å²	19	79.6 Å²	79.6	10%	0.099	43%	0.43	C	S	.	.	H	α-helix	trans	-64.4	-40.8	175.5	-66.1	175.6	0	0	0	111.7	L79 L108 A114 K115 E116 L197	L79-L112 HydrophobicContact CD2-CD2 4.31Å; L108-L112 HydrophobicContact CD1-CD1 4.44Å; L108-L112 HydrophobicContact CD1-CD2 4.47Å; L108-L112 HydrophobicContact CD1-CG 4.14Å; L108-L112 HydrophobicContact CG-CD1 4.18Å; L108-L112 HydrophobicContact CG-CG 4.34Å; L108-L112 WeakPolarHBondContact O-CG 3.38Å; L108-L112 PolarHBondContact O-N 3.21Å; L112-A114 VanDerWaalsContact C-N 3.32Å; L112-A114 PolarHBondContact O-N 2.87Å; L112-K115 WeakPolarHBondContact O-CB 3.33Å; L112-K115 PolarHBondContact O-N 3.05Å; L112-E116 WeakPolarHBondContact O-CG 3.4Å; L112-E116 PolarHBondContact O-N 2.96Å; L112-L197 WeakPolarHBondContact CD1-O 3.3Å
113	K	98.5	Very high	97.6	Very high	150 Å²	150	70.6 Å²	70.6	65%	0.652	39%	0.389	S	S	*	.	H	α-helix	trans	-62.9	-36.1	174.2	-173.9	175.1	-178	176.3	0	112.7	P109 A110 E116 K117	P109-K113 WeakPolarHBondContact O-CB 3.25Å; P109-K113 PolarHBondContact O-N 3.49Å; A110-K113 PolarHBondContact O-N 3.16Å; K113-E116 PolarHBondContact O-N 2.97Å; K113-K117 WeakPolarHBondContact O-CB 3.35Å; K113-K117 PolarHBondContact O-N 3.06Å
114	A	98.2	Very high	97.9	Very high	45 Å²	45	67.5 Å²	67.5	37%	0.372	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-41.5	175	0	0	0	0	0	111.8	A110 M111 L112 K117 A118	A110-A114 PolarHBondContact O-N 2.9Å; M111-A114 WeakPolarHBondContact O-CB 3.45Å; M111-A114 PolarHBondContact O-N 3.44Å; L112-A114 VanDerWaalsContact C-N 3.32Å; L112-A114 PolarHBondContact O-N 2.87Å; A114-K117 WeakPolarHBondContact O-CB 3.42Å; A114-K117 PolarHBondContact O-N 3.46Å; A114-A118 PolarHBondContact O-N 3.38Å; A114-A118 VanDerWaalsContact O-N 3.12Å
115	K	98.4	Very high	98.1	Very high	15 Å²	15	64.8 Å²	64.8	7%	0.065	37%	0.37	C	S	.	.	H	α-helix	trans	-58.4	-50.3	170.9	173.4	-150.4	68	111.9	0	111.5	P75 S78 L79 M111 L112 K117 A118 V119	P75-K115 HydrophobicContact CB-CD 3.7Å; P75-K115 HydrophobicContact CB-CG 3.71Å; S78-K115 WeakPolarHBondContact OG-CA 3.29Å; L79-K115 HydrophobicContact CD1-CD 4.16Å; L79-K115 HydrophobicContact CD2-CB 4.3Å; L79-K115 HydrophobicContact CD2-CD 4.37Å; L79-K115 HydrophobicContact CG-CD 4.12Å; L79-K115 HydrophobicContact CG-CG 4.44Å; M111-K115 PolarHBondContact O-N 2.96Å; M111-K115 VanDerWaalsContact O-N 3.14Å; L112-K115 WeakPolarHBondContact O-CB 3.33Å; L112-K115 PolarHBondContact O-N 3.05Å; K115-K117 VanDerWaalsContact C-N 3.29Å; K115-K117 PolarHBondContact O-N 3.36Å; K115-A118 WeakPolarHBondContact O-CB 3.34Å; K115-A118 PolarHBondContact O-N 3.23Å; K115-A118 VanDerWaalsContact O-N 3.12Å; K115-V119 WeakPolarHBondContact O-CG2 3.32Å; K115-V119 PolarHBondContact O-N 3.47Å
116	E	98	Very high	98.2	Very high	104 Å²	104	56.4 Å²	56.4	49%	0.486	33%	0.334	S	S	.	.	H	α-helix	trans	-60.4	-36.8	177.9	-71.6	166.6	-174.3	0	0	112.7	L112 K113 V119 S120	L112-E116 WeakPolarHBondContact O-CG 3.4Å; L112-E116 PolarHBondContact O-N 2.96Å; K113-E116 PolarHBondContact O-N 2.97Å; E116-V119 PolarHBondContact O-N 2.79Å; E116-S120 WeakPolarHBondContact O-CB 3.47Å; E116-S120 PolarHBondContact O-N 2.79Å; E116-S120 PolarHBondContact O-OG 3.37Å
117	K	98.4	Very high	98.2	Very high	157 Å²	157	56 Å²	56	68%	0.683	34%	0.337	S	S	*	.	H	α-helix	trans	-62.1	-43.5	173.7	-176.5	-177.4	175.8	-173.8	0	111.5	K113 A114 K115 S120 S121	K113-K117 WeakPolarHBondContact O-CB 3.35Å; K113-K117 PolarHBondContact O-N 3.06Å; A114-K117 WeakPolarHBondContact O-CB 3.42Å; A114-K117 PolarHBondContact O-N 3.46Å; K115-K117 VanDerWaalsContact C-N 3.29Å; K115-K117 PolarHBondContact O-N 3.36Å; K117-S120 WeakPolarHBondContact CA-OG 3.42Å; K117-S120 PolarHBondContact O-OG 2.85Å; K117-S120 VanDerWaalsContact O-OG 3.1Å; K117-S121 VanDerWaalsContact O-CB 3.28Å; K117-S121 WeakPolarHBondContact O-CB 3.15Å; K117-S121 PolarHBondContact O-N 2.79Å
118	A	98.2	Very high	98.3	Very high	32 Å²	32	59.1 Å²	59.1	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-46.6	176.6	0	0	0	0	0	111.5	I74 A114 K115 L122	I74-A118 HydrophobicContact CG2-CB 4.32Å; A114-A118 PolarHBondContact O-N 3.38Å; A114-A118 VanDerWaalsContact O-N 3.12Å; K115-A118 WeakPolarHBondContact O-CB 3.34Å; K115-A118 PolarHBondContact O-N 3.23Å; K115-A118 VanDerWaalsContact O-N 3.12Å; A118-L122 WeakPolarHBondContact O-CB 3.46Å; A118-L122 WeakPolarHBondContact O-CG 3.14Å; A118-L122 PolarHBondContact O-N 2.9Å; A118-L122 VanDerWaalsContact O-N 3.16Å
119	V	98.4	Very high	98.3	Very high	17 Å²	17	61.6 Å²	61.6	10%	0.103	36%	0.357	C	S	.	.	H	α-helix	trans	-59.9	-53.7	177.2	175.4	0	0	0	0	111.1	L69 I74 P75 K115 E116 S121 L122 T123	L69-V119 WeakPolarHBondContact O-CG2 3.17Å; I74-V119 HydrophobicContact CG2-CG2 4.09Å; P75-V119 HydrophobicContact CB-CG2 4.25Å; K115-V119 WeakPolarHBondContact O-CG2 3.32Å; K115-V119 PolarHBondContact O-N 3.47Å; E116-V119 PolarHBondContact O-N 2.79Å; V119-S121 PolarHBondContact O-N 3.01Å; V119-L122 PolarHBondContact O-N 3.15Å; V119-T123 HydrophobicContact CG1-CG2 4.11Å; V119-T123 WeakPolarHBondContact O-CG2 3.15Å; V119-T123 PolarHBondContact O-N 3.47Å; V119-T123 PolarHBondContact O-OG1 2.98Å
120	S	98	Very high	98.3	Very high	69 Å²	69	57.2 Å²	57.2	48%	0.483	33%	0.328	S	S	.	.	H	α-helix	trans	-62.7	-37.1	-178.2	53.8	0	0	0	0	113.7	E116 K117 T123 G124	E116-S120 WeakPolarHBondContact O-CB 3.47Å; E116-S120 PolarHBondContact O-N 2.79Å; E116-S120 PolarHBondContact O-OG 3.37Å; K117-S120 WeakPolarHBondContact CA-OG 3.42Å; K117-S120 PolarHBondContact O-OG 2.85Å; K117-S120 VanDerWaalsContact O-OG 3.1Å; S120-T123 WeakPolarHBondContact CA-OG1 3.47Å; S120-T123 PolarHBondContact O-OG1 3.05Å; S120-G124 PolarHBondContact O-N 2.89Å; S120-G124 VanDerWaalsContact O-N 3.07Å
121	S	98.2	Very high	98.2	Very high	86 Å²	86	63 Å²	63	60%	0.601	34%	0.344	S	S	*	.	H	α-helix	trans	-62.8	-44.2	175	-172.9	0	0	0	0	111.8	K117 V119 G125	K117-S121 VanDerWaalsContact O-CB 3.28Å; K117-S121 WeakPolarHBondContact O-CB 3.15Å; K117-S121 PolarHBondContact O-N 2.79Å; V119-S121 PolarHBondContact O-N 3.01Å; S121-G125 PolarHBondContact O-N 2.9Å
122	L	97.9	Very high	98.2	Very high	81 Å²	81	67.5 Å²	67.5	42%	0.424	37%	0.365	S	S	.	.	H	α-helix	trans	-76.6	-36.9	-176.7	-76.2	169	0	0	0	112	L69 I74 A118 V119 G124 G125 I126	L69-L122 HydrophobicContact CD1-CB 3.44Å; L69-L122 VanDerWaalsContact CD1-CB 3.44Å; L69-L122 HydrophobicContact CD1-CD1 3.92Å; L69-L122 HydrophobicContact CD1-CG 4.33Å; L69-L122 HydrophobicContact CD2-CB 4.08Å; L69-L122 HydrophobicContact CG-CB 4.39Å; I74-L122 HydrophobicContact CD1-CD1 3.99Å; I74-L122 HydrophobicContact CG1-CD1 3.97Å; I74-L122 HydrophobicContact CG2-CD1 3.77Å; A118-L122 WeakPolarHBondContact O-CB 3.46Å; A118-L122 WeakPolarHBondContact O-CG 3.14Å; A118-L122 PolarHBondContact O-N 2.9Å; A118-L122 VanDerWaalsContact O-N 3.16Å; V119-L122 PolarHBondContact O-N 3.15Å; L122-G124 VanDerWaalsContact C-N 3.35Å; L122-G125 WeakPolarHBondContact O-CA 3.24Å; L122-G125 PolarHBondContact O-N 3Å; L122-G125 VanDerWaalsContact O-N 3.13Å; L122-I126 PolarHBondContact O-N 2.78Å
123	T	97.8	Very high	98.2	Very high	13 Å²	13	68.1 Å²	68.1	8%	0.08	37%	0.368	C	S	.	.	H	α-helix	trans	-66	-40.4	175.2	56.4	0	0	0	0	110.8	L64 L69 N70 V119 S120 G125 I126 A127	L64-T123 WeakPolarHBondContact O-CG2 3.3Å; L69-T123 HydrophobicContact CD2-CG2 3.48Å; L69-T123 VanDerWaalsContact CD2-CG2 3.48Å; L69-T123 HydrophobicContact CG-CG2 3.64Å; N70-T123 WeakPolarHBondContact OD1-CG2 3.43Å; V119-T123 HydrophobicContact CG1-CG2 4.11Å; V119-T123 WeakPolarHBondContact O-CG2 3.15Å; V119-T123 PolarHBondContact O-N 3.47Å; V119-T123 PolarHBondContact O-OG1 2.98Å; S120-T123 WeakPolarHBondContact CA-OG1 3.47Å; S120-T123 PolarHBondContact O-OG1 3.05Å; T123-G125 VanDerWaalsContact C-N 3.29Å; T123-G125 PolarHBondContact O-N 3.32Å; T123-I126 PolarHBondContact O-N 2.72Å; T123-A127 PolarHBondContact O-N 3.18Å; T123-A127 VanDerWaalsContact O-N 3.17Å
124	G	98	Very high	98.2	Very high	40 Å²	40	69.5 Å²	69.5	41%	0.412	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-36.6	170.4	0	0	0	0	0	112.8	S120 L122 A127 Y128	S120-G124 PolarHBondContact O-N 2.89Å; S120-G124 VanDerWaalsContact O-N 3.07Å; L122-G124 VanDerWaalsContact C-N 3.35Å; G124-A127 PolarHBondContact O-N 3.18Å; G124-Y128 PolarHBondContact O-N 3.34Å
125	G	98.3	Very high	98.3	Very high	30 Å²	30	67.8 Å²	67.8	31%	0.309	36%	0.359	S	S	.	.	H	α-helix	trans	-59.4	-44.4	172.8	0	0	0	0	0	113.1	S121 L122 T123 A127 Y128 L129	S121-G125 PolarHBondContact O-N 2.9Å; L122-G125 WeakPolarHBondContact O-CA 3.24Å; L122-G125 PolarHBondContact O-N 3Å; L122-G125 VanDerWaalsContact O-N 3.13Å; T123-G125 VanDerWaalsContact C-N 3.29Å; T123-G125 PolarHBondContact O-N 3.32Å; G125-A127 PolarHBondContact O-N 3.04Å; G125-Y128 WeakPolarHBondContact O-CB 3.38Å; G125-Y128 PolarHBondContact O-N 2.99Å; G125-L129 WeakPolarHBondContact O-CG 3.41Å; G125-L129 PolarHBondContact O-N 3.43Å
126	I	98.3	Very high	98.2	Very high	9 Å²	9	70.3 Å²	70.3	5%	0.046	37%	0.373	C	S	.	.	H	α-helix	trans	-63.3	-43.8	175.8	-60.9	175	0	0	0	110.9	Y42 L64 L69 L122 T123 Y128 L129 F130	Y42-I126 HydrophobicContact CD1-CD1 3.71Å; Y42-I126 HydrophobicContact CD1-CG2 4.5Å; Y42-I126 HydrophobicContact CD2-CD1 4.45Å; Y42-I126 HydrophobicContact CD2-CG1 4.47Å; Y42-I126 HydrophobicContact CD2-CG2 4.19Å; Y42-I126 HydrophobicContact CE1-CD1 3.63Å; Y42-I126 HydrophobicContact CE1-CG1 4.48Å; Y42-I126 HydrophobicContact CE2-CD1 4.44Å; Y42-I126 HydrophobicContact CE2-CG1 4.47Å; Y42-I126 HydrophobicContact CG-CD1 4.15Å; Y42-I126 HydrophobicContact CG-CG2 3.98Å; L64-I126 HydrophobicContact CB-CB 4.27Å; L64-I126 HydrophobicContact CB-CG2 3.84Å; L64-I126 HydrophobicContact CD1-CG2 3.83Å; L64-I126 HydrophobicContact CG-CG2 4.48Å; L69-I126 HydrophobicContact CD2-CD1 3.43Å; L69-I126 VanDerWaalsContact CD2-CD1 3.43Å; L69-I126 HydrophobicContact CD2-CG1 4.33Å; L122-I126 PolarHBondContact O-N 2.78Å; T123-I126 PolarHBondContact O-N 2.72Å; I126-Y128 VanDerWaalsContact C-N 3.25Å; I126-Y128 PolarHBondContact O-N 2.81Å; I126-L129 PolarHBondContact O-N 2.82Å; I126-L129 VanDerWaalsContact O-N 3.13Å; I126-F130 HydrophobicContact CG2-CD1 4.35Å; I126-F130 HydrophobicContact CG2-CE1 4.22Å; I126-F130 PolarHBondContact O-N 3.01Å
127	A	98.2	Very high	98.2	Very high	39 Å²	39	69.2 Å²	69.2	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-35.5	176.8	0	0	0	0	0	112.4	L64 T123 G124 G125 K131	L64-A127 HydrophobicContact CD1-CB 4.35Å; T123-A127 PolarHBondContact O-N 3.18Å; T123-A127 VanDerWaalsContact O-N 3.17Å; G124-A127 PolarHBondContact O-N 3.18Å; G125-A127 PolarHBondContact O-N 3.04Å; A127-K131 WeakPolarHBondContact O-CG 3.31Å; A127-K131 PolarHBondContact O-N 3.24Å
128	Y	98.3	Very high	98.2	Very high	154 Å²	154	62.2 Å²	62.2	60%	0.604	34%	0.338	S	S	*	.	H	α-helix	trans	-66	-46.3	171.8	175.9	-95	0	0	0	111.9	G124 G125 I126 F130 K131 Q132	G124-Y128 PolarHBondContact O-N 3.34Å; G125-Y128 WeakPolarHBondContact O-CB 3.38Å; G125-Y128 PolarHBondContact O-N 2.99Å; I126-Y128 VanDerWaalsContact C-N 3.25Å; I126-Y128 PolarHBondContact O-N 2.81Å; Y128-F130 VanDerWaalsContact C-N 3.32Å; Y128-F130 PolarHBondContact O-N 2.95Å; Y128-K131 PolarHBondContact O-N 3.35Å; Y128-K131 VanDerWaalsContact O-N 3.17Å; Y128-Q132 PolarHBondContact O-N 3.39Å
129	L	98.5	Very high	98.2	Very high	65 Å²	65	64 Å²	64	34%	0.34	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-39.5	177.8	-71.5	170.3	0	0	0	112.3	I46 G125 I126 Q132 N133	I46-L129 HydrophobicContact CD1-CB 3.81Å; I46-L129 HydrophobicContact CD1-CD1 4.18Å; G125-L129 WeakPolarHBondContact O-CG 3.41Å; G125-L129 PolarHBondContact O-N 3.43Å; I126-L129 PolarHBondContact O-N 2.82Å; I126-L129 VanDerWaalsContact O-N 3.13Å; L129-Q132 PolarHBondContact O-N 2.89Å; L129-N133 WeakPolarHBondContact O-CB 3.44Å; L129-N133 PolarHBondContact O-N 3.3Å; L129-N133 PolarHBondContact O-ND2 2.57Å
130	F	98.5	Very high	98.2	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.018	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-46.9	174.1	-85.6	15.7	0	0	0	111.9	I46 C57 L64 I126 Y128 Q132 N133 K134 V135 H137	I46-F130 HydrophobicContact CD1-CD1 4.35Å; I46-F130 HydrophobicContact CD1-CE1 4.4Å; I46-F130 HydrophobicContact CG1-CD1 3.99Å; I46-F130 HydrophobicContact CG1-CE1 4.06Å; C57-F130 HydrophobicContact CB-CE2 3.57Å; C57-F130 HydrophobicContact CB-CZ 3.8Å; L64-F130 HydrophobicContact CD1-CD2 3.6Å; L64-F130 HydrophobicContact CD1-CE2 3.69Å; L64-F130 HydrophobicContact CD1-CG 4.27Å; L64-F130 HydrophobicContact CD1-CZ 4.44Å; L64-F130 HydrophobicContact CD2-CE2 4.04Å; I126-F130 HydrophobicContact CG2-CD1 4.35Å; I126-F130 HydrophobicContact CG2-CE1 4.22Å; I126-F130 PolarHBondContact O-N 3.01Å; Y128-F130 VanDerWaalsContact C-N 3.32Å; Y128-F130 PolarHBondContact O-N 2.95Å; F130-Q132 VanDerWaalsContact C-N 3.34Å; F130-Q132 PolarHBondContact O-N 3.13Å; F130-N133 CarbonylContact O-C 3.56Å; F130-N133 PolarHBondContact O-N 3.34Å; F130-K134 PolarHBondContact O-N 3.48Å; F130-V135 HydrophobicContact CB-CB 4.09Å; F130-V135 HydrophobicContact CD1-CB 4.14Å; F130-V135 HydrophobicContact CD1-CG1 4.21Å; F130-V135 HydrophobicContact CD1-CG2 4.36Å; F130-V135 HydrophobicContact CD2-CB 4.29Å; F130-V135 HydrophobicContact CD2-CG1 3.91Å; F130-V135 HydrophobicContact CE1-CG1 4.28Å; F130-V135 HydrophobicContact CE2-CG1 4.02Å; F130-V135 HydrophobicContact CG-CB 3.93Å; F130-V135 HydrophobicContact CG-CG1 4.01Å; F130-V135 HydrophobicContact CZ-CG1 4.19Å; F130-V135 PolarHBondContact O-N 2.96Å; F130-H137 HydrophobicContact CD2-CB 4.18Å
131	K	98.1	Very high	98.2	Very high	170 Å²	170	63.2 Å²	63.2	74%	0.739	33%	0.331	S	S	*	.	H	α-helix	trans	-60.5	-43.7	175.8	-70.1	176.5	-177.1	179.9	0	111.8	A127 Y128 N133 K134	A127-K131 WeakPolarHBondContact O-CG 3.31Å; A127-K131 PolarHBondContact O-N 3.24Å; Y128-K131 PolarHBondContact O-N 3.35Å; Y128-K131 VanDerWaalsContact O-N 3.17Å; K131-N133 VanDerWaalsContact C-N 3.32Å; K131-N133 PolarHBondContact O-N 3.34Å; K131-K134 PolarHBondContact O-N 3.09Å
132	Q	98.5	Very high	98.2	Very high	119 Å²	119	59.4 Å²	59.4	56%	0.556	31%	0.306	S	S	*	.	H	α-helix	trans	-62.2	-40.1	179.3	-173.9	179.3	7.1	0	0	112.1	Y128 L129 F130	Y128-Q132 PolarHBondContact O-N 3.39Å; L129-Q132 PolarHBondContact O-N 2.89Å; F130-Q132 VanDerWaalsContact C-N 3.34Å; F130-Q132 PolarHBondContact O-N 3.13Å
133	N	98.7	Very high	98.3	Very high	31 Å²	31	56.7 Å²	56.7	17%	0.166	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	5.1	179.6	-67.2	-86.6	0	0	0	113.1	A49 Q50 L129 F130 K131 V135	A49-N133 HydrophobicContact CB-CB 4.24Å; A49-N133 WeakPolarHBondContact CB-O 3.31Å; Q50-N133 VanDerWaalsContact CG-OD1 3.31Å; Q50-N133 WeakPolarHBondContact CG-OD1 3.03Å; Q50-N133 PolarHBondContact NE2-OD1 2.77Å; L129-N133 WeakPolarHBondContact O-CB 3.44Å; L129-N133 PolarHBondContact O-N 3.3Å; L129-N133 PolarHBondContact O-ND2 2.57Å; F130-N133 CarbonylContact O-C 3.56Å; F130-N133 PolarHBondContact O-N 3.34Å; K131-N133 VanDerWaalsContact C-N 3.32Å; K131-N133 PolarHBondContact O-N 3.34Å; N133-V135 VanDerWaalsContact C-N 3.26Å; N133-V135 HydrophobicContact CB-CG2 4.25Å; N133-V135 PolarHBondContact O-N 2.95Å
134	K	98.2	Very high	98.3	Very high	179 Å²	179	56 Å²	56	78%	0.778	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	37.6	-178.5	-50	176.7	-176.8	178.2	0	113.4	F130 K131	F130-K134 PolarHBondContact O-N 3.48Å; K131-K134 PolarHBondContact O-N 3.09Å
135	V	98.7	Very high	98.3	Very high	10 Å²	10	56.1 Å²	56.1	6%	0.061	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-82	121.6	170.3	177.8	0	0	0	0	108.3	S45 A49 T55 C57 F130 N133 H137	S45-V135 WeakPolarHBondContact O-CG2 3.33Å; A49-V135 HydrophobicContact CB-CG2 3.81Å; T55-V135 HydrophobicContact CG2-CG1 4.14Å; T55-V135 HydrophobicContact CG2-CG2 4.44Å; C57-V135 HydrophobicContact CB-CG1 3.97Å; F130-V135 HydrophobicContact CB-CB 4.09Å; F130-V135 HydrophobicContact CD1-CB 4.14Å; F130-V135 HydrophobicContact CD1-CG1 4.21Å; F130-V135 HydrophobicContact CD1-CG2 4.36Å; F130-V135 HydrophobicContact CD2-CB 4.29Å; F130-V135 HydrophobicContact CD2-CG1 3.91Å; F130-V135 HydrophobicContact CE1-CG1 4.28Å; F130-V135 HydrophobicContact CE2-CG1 4.02Å; F130-V135 HydrophobicContact CG-CB 3.93Å; F130-V135 HydrophobicContact CG-CG1 4.01Å; F130-V135 HydrophobicContact CZ-CG1 4.19Å; F130-V135 PolarHBondContact O-N 2.96Å; N133-V135 VanDerWaalsContact C-N 3.26Å; N133-V135 HydrophobicContact CB-CG2 4.25Å; N133-V135 PolarHBondContact O-N 2.95Å; V135-H137 PolarHBondContact O-N 3.17Å
136	D	98.1	Very high	98.3	Very high	68 Å²	68	57.4 Å²	57.4	36%	0.364	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.6	174.8	-73.5	-36.3	0	0	0	109.1	T55 V56 C57	T55-D136 PolarHBondContact O-N 3.21Å; V56-D136 CarbonylContact C-O 3.2Å; V56-D136 VanDerWaalsContact CA-O 3.29Å; V56-D136 WeakPolarHBondContact CA-O 3.44Å; V56-D136 HydrophobicContact CB-CB 4.48Å; V56-D136 HydrophobicContact CG2-CB 3.87Å; C57-D136 PolarHBondContact N-O 3.12Å
137	H	97.8	Very high	98.3	Very high	80 Å²	80	59.1 Å²	59.1	37%	0.37	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.7	174.9	169.9	-140.5	0	0	0	110.4	C57 F130 V135	C57-H137 WeakPolarHBondContact O-CA 3.44Å; F130-H137 HydrophobicContact CD2-CB 4.18Å; V135-H137 PolarHBondContact O-N 3.17Å
138	V	97.6	Very high	98.3	Very high	10 Å²	10	61 Å²	61	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	112	172.3	-171.3	0	0	0	0	109.2	L28 V56 C57 V58 E59 G140 V152 I162	L28-V138 HydrophobicContact CD1-CG2 4.14Å; V56-V138 HydrophobicContact CG1-CB 4.49Å; V56-V138 HydrophobicContact CG1-CG2 3.68Å; C57-V138 PolarHBondContact O-N 2.89Å; V58-V138 WeakPolarHBondContact CA-O 3.42Å; V58-V138 HydrophobicContact CG2-CB 4.47Å; E59-V138 PolarHBondContact N-O 3.22Å; V138-G140 PolarHBondContact O-N 2.74Å; V138-V152 HydrophobicContact CG1-CB 4.13Å; V138-V152 HydrophobicContact CG1-CG1 3.74Å; V138-V152 HydrophobicContact CG1-CG2 4.22Å; V138-I162 HydrophobicContact CG2-CD1 4.17Å
139	N	97.9	Very high	98.3	Very high	71 Å²	71	54.6 Å²	54.6	38%	0.38	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.1	176.8	-173.7	-12.7	0	0	0	110.3	E59	E59-N139 CarbonylContact O-C 3.31Å; E59-N139 VanDerWaalsContact O-CA 3.29Å; E59-N139 WeakPolarHBondContact O-CA 3.41Å; E59-N139 PolarHBondContact O-OD1 2.99Å
140	G	98.3	Very high	98.3	Very high	4 Å²	4	51.5 Å²	51.5	4%	0.041	26%	0.258	C	S	.	.	S	Bend	trans	162.3	176.8	176	0	0	0	0	0	112.6	V58 E59 K60 V138 G142 K153	V58-G140 WeakPolarHBondContact CG1-O 3.37Å; E59-G140 CarbonylContact C-O 3.58Å; E59-G140 VanDerWaalsContact C-O 3.31Å; E59-G140 PolarHBondContact O-N 2.89Å; K60-G140 WeakPolarHBondContact CA-O 3.36Å; K60-G140 PolarHBondContact N-O 2.7Å; V138-G140 PolarHBondContact O-N 2.74Å; G140-G142 PolarHBondContact O-N 3Å; G140-K153 CarbonylContact C-O 3.59Å; G140-K153 VanDerWaalsContact CA-O 3.31Å; G140-K153 WeakPolarHBondContact CA-O 3.38Å
141	F	98.5	Very high	98.3	Very high	64 Å²	64	52.4 Å²	52.4	28%	0.281	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	109.4	178.7	-166.6	-78.9	0	0	0	110.7	K60 V152 K153 S307 G308	K60-F141 HydrophobicContact CB-CB 4.47Å; K60-F141 HydrophobicContact CB-CD2 4.3Å; K60-F141 HydrophobicContact CD-CD2 3.76Å; K60-F141 HydrophobicContact CD-CE2 3.98Å; F141-V152 WeakPolarHBondContact O-CA 3.37Å; F141-K153 PolarHBondContact N-O 3.43Å; F141-K153 PolarHBondContact O-N 2.84Å; F141-S307 WeakPolarHBondContact CZ-O 3.49Å; F141-G308 WeakPolarHBondContact CE1-O 3.4Å
142	G	98.5	Very high	98.3	Very high	7 Å²	7	44.3 Å²	44.3	7%	0.072	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.7	177.6	0	0	0	0	0	113.1	G140 L151	G140-G142 PolarHBondContact O-N 3Å; G142-L151 CarbonylContact C-O 3.54Å; G142-L151 WeakPolarHBondContact CA-O 3.38Å
143	S	98.6	Very high	98.3	Very high	23 Å²	23	44.2 Å²	44.2	16%	0.161	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141	174.8	56.7	0	0	0	0	110.7	V150 L151 L309	S143-V150 CarbonylContact O-C 3.52Å; S143-V150 WeakPolarHBondContact O-CA 3.31Å; S143-L151 PolarHBondContact N-O 3.03Å; S143-L151 PolarHBondContact O-N 2.86Å; S143-L151 PolarHBondContact OG-O 3.32Å; S143-L309 WeakPolarHBondContact CA-O 3.47Å
144	I	98.8	Very high	98.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119	-178.2	-56.7	174.2	0	0	0	108.4	I35 N146 I167 I169 L309 L311 N313 V314 I337	I35-I144 HydrophobicContact CD1-CD1 4.42Å; I35-I144 HydrophobicContact CD1-CG1 3.88Å; I144-N146 WeakPolarHBondContact CG2-O 3.37Å; I144-I167 HydrophobicContact CD1-CG2 4.09Å; I144-I167 HydrophobicContact CG1-CD1 4.35Å; I144-I167 HydrophobicContact CG1-CG2 4.33Å; I144-I167 HydrophobicContact CG2-CD1 3.93Å; I144-I169 HydrophobicContact CD1-CD1 3.83Å; I144-I169 HydrophobicContact CD1-CG1 4.1Å; I144-L309 HydrophobicContact CD1-CG 4.41Å; I144-L309 PolarHBondContact N-O 3.24Å; I144-L311 HydrophobicContact CD1-CD2 4.38Å; I144-N313 PolarHBondContact O-ND2 3.04Å; I144-V314 HydrophobicContact CG2-CG1 3.6Å; I144-V314 HydrophobicContact CG2-CG2 4.15Å; I144-I337 HydrophobicContact CD1-CD1 4.46Å; I144-I337 HydrophobicContact CD1-CG2 4.36Å; I144-I337 HydrophobicContact CG2-CD1 4.16Å
145	V	98.2	Very high	98	Very high	41 Å²	41	42.9 Å²	42.9	25%	0.248	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-43.8	179.6	179.2	0	0	0	0	110.4	E149 L151 N313	V145-E149 HydrophobicContact CB-CB 4.38Å; V145-E149 PolarHBondContact N-O 3.07Å; V145-L151 HydrophobicContact CG2-CB 3.53Å; V145-N313 WeakPolarHBondContact O-CB 3.49Å
146	N	98.2	Very high	97.8	Very high	58 Å²	58	48.4 Å²	48.4	31%	0.31	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	176.8	177.9	64.4	61	0	0	0	107.9	I144 N148 E149	I144-N146 WeakPolarHBondContact CG2-O 3.37Å; N146-N148 PolarHBondContact O-N 3.03Å; N146-N148 PolarHBondContact OD1-N 2.95Å; N146-E149 PolarHBondContact O-N 3.13Å; N146-E149 PolarHBondContact OD1-N 2.98Å; N146-E149 VanDerWaalsContact OD1-N 3.15Å
147	P	98.2	Very high	97.6	Very high	45 Å²	45	47.3 Å²	47.3	29%	0.292	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-18.7	-176.2	-28.9	38	0	0	0	115.9	V314 V334 N336	P147-V314 HydrophobicContact CG-CG1 4.22Å; P147-V334 HydrophobicContact CB-CG1 3.97Å; P147-V334 HydrophobicContact CG-CG1 4.06Å; P147-N336 PolarHBondContact O-ND2 2.94Å
148	N	98.3	Very high	97.5	Very high	79 Å²	79	45.8 Å²	45.8	42%	0.422	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	15.3	-174.1	-64.7	103.8	0	0	0	113.8	N146 A163 T164 E165 N336	N146-N148 PolarHBondContact O-N 3.03Å; N146-N148 PolarHBondContact OD1-N 2.95Å; N148-A163 CarbonylContact O-C 3.57Å; N148-A163 WeakPolarHBondContact O-CA 3.4Å; N148-T164 CarbonylContact C-O 3.21Å; N148-T164 WeakPolarHBondContact CA-O 3.34Å; N148-T164 VanDerWaalsContact CB-O 3.24Å; N148-T164 WeakPolarHBondContact CB-O 3.44Å; N148-T164 PolarHBondContact ND2-O 2.58Å; N148-T164 PolarHBondContact O-N 3.29Å; N148-E165 PolarHBondContact ND2-O 3.26Å; N148-N336 PolarHBondContact ND2-ND2 3.41Å
149	E	98.4	Very high	97.5	Very high	19 Å²	19	50.9 Å²	50.9	9%	0.089	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	130.4	-179.7	-165.2	175.9	79.6	0	0	112.1	R27 V145 N146 R161 I162	R27-E149 IonicContact CZ-OE2 2.72Å; R27-E149 IonicContact NH1-OE2 3.05Å; R27-E149 PolarHBondContact NH1-OE2 2.83Å; V145-E149 HydrophobicContact CB-CB 4.38Å; V145-E149 PolarHBondContact N-O 3.07Å; N146-E149 PolarHBondContact O-N 3.13Å; N146-E149 PolarHBondContact OD1-N 2.98Å; N146-E149 VanDerWaalsContact OD1-N 3.15Å; E149-R161 HydrophobicContact CG-CB 4.4Å; E149-R161 IonicContact OE1-CZ 3.79Å; E149-R161 IonicContact OE1-NH1 2.72Å; E149-R161 PolarHBondContact OE1-NH1 2.99Å; E149-I162 WeakPolarHBondContact CA-O 3.47Å
150	V	98.6	Very high	97.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.2	172.2	177.6	0	0	0	0	109	V33 I35 S143 V152 I162 I167	V33-V150 HydrophobicContact CB-CG2 4.26Å; V33-V150 HydrophobicContact CG1-CB 4.21Å; V33-V150 HydrophobicContact CG1-CG1 4.34Å; V33-V150 HydrophobicContact CG1-CG2 3.9Å; I35-V150 HydrophobicContact CD1-CG1 4.04Å; I35-V150 HydrophobicContact CD1-CG2 4.06Å; I35-V150 HydrophobicContact CG1-CG1 4.45Å; S143-V150 CarbonylContact O-C 3.52Å; S143-V150 WeakPolarHBondContact O-CA 3.31Å; V150-V152 HydrophobicContact CG1-CG2 4.3Å; V150-I162 PolarHBondContact N-O 2.93Å; V150-I162 PolarHBondContact O-N 3.3Å; V150-I167 HydrophobicContact CG2-CD1 3.71Å; V150-I167 HydrophobicContact CG2-CG1 3.97Å; V150-I167 HydrophobicContact CG2-CG2 4.35Å
151	L	98.3	Very high	97.3	Very high	22 Å²	22	53.8 Å²	53.8	12%	0.115	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.8	171.6	177.2	69.4	0	0	0	109.2	G142 S143 V145 E159 R161	G142-L151 CarbonylContact C-O 3.54Å; G142-L151 WeakPolarHBondContact CA-O 3.38Å; S143-L151 PolarHBondContact N-O 3.03Å; S143-L151 PolarHBondContact O-N 2.86Å; S143-L151 PolarHBondContact OG-O 3.32Å; V145-L151 HydrophobicContact CG2-CB 3.53Å; L151-E159 HydrophobicContact CD1-CB 3.89Å; L151-E159 HydrophobicContact CD1-CG 4.16Å; L151-R161 HydrophobicContact CD1-CG 3.67Å
152	V	98.4	Very high	97.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.5	176.8	-171.6	0	0	0	0	109.6	V58 V138 F141 V150 E159 E160 I162	V58-V152 HydrophobicContact CG1-CG1 3.88Å; V58-V152 HydrophobicContact CG1-CG2 3.87Å; V58-V152 HydrophobicContact CG2-CG2 3.77Å; V138-V152 HydrophobicContact CG1-CB 4.13Å; V138-V152 HydrophobicContact CG1-CG1 3.74Å; V138-V152 HydrophobicContact CG1-CG2 4.22Å; F141-V152 WeakPolarHBondContact O-CA 3.37Å; V150-V152 HydrophobicContact CG1-CG2 4.3Å; V152-E159 WeakPolarHBondContact O-CA 3.21Å; V152-E160 PolarHBondContact N-O 2.79Å; V152-E160 PolarHBondContact O-N 3.48Å; V152-I162 HydrophobicContact CG2-CD1 3.56Å; V152-I162 HydrophobicContact CG2-CG1 4.39Å
153	K	97.9	Very high	97.3	Very high	118 Å²	118	51.7 Å²	51.7	51%	0.513	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.2	175.1	-175	175.7	-178.7	175.6	0	110.3	G140 F141	G140-K153 CarbonylContact C-O 3.59Å; G140-K153 VanDerWaalsContact CA-O 3.31Å; G140-K153 WeakPolarHBondContact CA-O 3.38Å; F141-K153 PolarHBondContact N-O 3.43Å; F141-K153 PolarHBondContact O-N 2.84Å
154	K	97.1	Very high	97.3	Very high	70 Å²	70	51 Å²	51	30%	0.304	29%	0.289	S	S	.	.			trans	-83.6	165.9	-177.6	-57.7	-171.3	-176.5	170.5	0	111.5	D156 G157 S158 E160	K154-D156 WeakPolarHBondContact CB-OD1 3.49Å; K154-D156 PolarHBondContact O-N 3.05Å; K154-G157 PolarHBondContact O-N 3.02Å; K154-S158 PolarHBondContact N-O 2.75Å; K154-E160 WeakPolarHBondContact CE-OE2 3.2Å; K154-E160 IonicContact NZ-OE2 2.7Å; K154-E160 PolarHBondContact NZ-OE2 2.79Å
155	A	94	Very high	97.3	Very high	112 Å²	112	55.1 Å²	55.1	93%	0.926	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.7	-179.3	0	0	0	0	0	113.6	G157	A155-G157 PolarHBondContact O-N 2.97Å
156	D	94.4	Very high	97.3	Very high	126 Å²	126	55.6 Å²	55.6	67%	0.674	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	0.8	175.4	67.5	-3.3	0	0	0	113.7	K154 S158	K154-D156 WeakPolarHBondContact CB-OD1 3.49Å; K154-D156 PolarHBondContact O-N 3.05Å; D156-S158 VanDerWaalsContact C-N 3.28Å; D156-S158 PolarHBondContact O-N 3.04Å; D156-S158 WeakPolarHBondContact OD1-CB 3.48Å; D156-S158 PolarHBondContact OD1-N 2.92Å; D156-S158 PolarHBondContact OD1-OG 2.82Å; D156-S158 PolarHBondContact OD2-OG 2.65Å
157	G	94.4	Very high	97.3	Very high	45 Å²	45	52.9 Å²	52.9	46%	0.464	29%	0.291	S	S	.	.	S	Bend	trans	82.9	-3.1	-177.1	0	0	0	0	0	114.5	K154 A155	K154-G157 PolarHBondContact O-N 3.02Å; A155-G157 PolarHBondContact O-N 2.97Å
158	S	95.9	Very high	97.4	Very high	48 Å²	48	50.7 Å²	50.7	34%	0.336	28%	0.277	S	S	.	.			trans	-68.4	151.8	172.9	68.8	0	0	0	0	111.4	K154 D156	K154-S158 PolarHBondContact N-O 2.75Å; D156-S158 VanDerWaalsContact C-N 3.28Å; D156-S158 PolarHBondContact O-N 3.04Å; D156-S158 WeakPolarHBondContact OD1-CB 3.48Å; D156-S158 PolarHBondContact OD1-N 2.92Å; D156-S158 PolarHBondContact OD1-OG 2.82Å; D156-S158 PolarHBondContact OD2-OG 2.65Å
159	E	96.4	Very high	97.4	Very high	117 Å²	117	47 Å²	47	55%	0.547	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.9	-176.9	-75.8	-174.4	-176.3	0	0	110.7	L151 V152	L151-E159 HydrophobicContact CD1-CB 3.89Å; L151-E159 HydrophobicContact CD1-CG 4.16Å; V152-E159 WeakPolarHBondContact O-CA 3.21Å
160	E	95.7	Very high	97.4	Very high	39 Å²	39	46.5 Å²	46.5	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.2	176	-175	166.5	177.5	0	0	110	L28 V152 K154	L28-E160 WeakPolarHBondContact CD1-OE1 3.43Å; L28-E160 WeakPolarHBondContact CG-OE1 3.25Å; V152-E160 PolarHBondContact N-O 2.79Å; V152-E160 PolarHBondContact O-N 3.48Å; K154-E160 WeakPolarHBondContact CE-OE2 3.2Å; K154-E160 IonicContact NZ-OE2 2.7Å; K154-E160 PolarHBondContact NZ-OE2 2.79Å
161	R	97.3	Very high	97.4	Very high	96 Å²	96	47.9 Å²	47.9	36%	0.362	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127	177.5	-71.9	-179.5	-179.6	-96.6	-8.2	110.1	E149 L151	E149-R161 HydrophobicContact CG-CB 4.4Å; E149-R161 IonicContact OE1-CZ 3.79Å; E149-R161 IonicContact OE1-NH1 2.72Å; E149-R161 PolarHBondContact OE1-NH1 2.99Å; L151-R161 HydrophobicContact CD1-CG 3.67Å
162	I	98.1	Very high	97.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113	-178.7	-51.4	165.7	0	0	0	107.9	L28 A30 V33 V56 V58 V138 E149 V150 V152	L28-I162 HydrophobicContact CB-CG1 4.31Å; L28-I162 HydrophobicContact CB-CG2 4.1Å; L28-I162 WeakPolarHBondContact O-CA 3.38Å; A30-I162 HydrophobicContact CB-CG2 4.39Å; V33-I162 HydrophobicContact CG2-CB 4.33Å; V33-I162 HydrophobicContact CG2-CG2 3.59Å; V56-I162 HydrophobicContact CG1-CD1 3.87Å; V56-I162 HydrophobicContact CG2-CG2 4.42Å; V58-I162 HydrophobicContact CG2-CD1 4.08Å; V138-I162 HydrophobicContact CG2-CD1 4.17Å; E149-I162 WeakPolarHBondContact CA-O 3.47Å; V150-I162 PolarHBondContact N-O 2.93Å; V150-I162 PolarHBondContact O-N 3.3Å; V152-I162 HydrophobicContact CG2-CD1 3.56Å; V152-I162 HydrophobicContact CG2-CG1 4.39Å
163	A	98.1	Very high	97.5	Very high	28 Å²	28	48 Å²	48	23%	0.231	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	135.7	172.1	0	0	0	0	0	109.5	L28 K29 A30 N148	L28-A163 PolarHBondContact O-N 2.72Å; K29-A163 WeakPolarHBondContact CA-O 3.41Å; A30-A163 PolarHBondContact N-O 3.38Å; N148-A163 CarbonylContact O-C 3.57Å; N148-A163 WeakPolarHBondContact O-CA 3.4Å
164	T	98.6	Very high	97.5	Very high	7 Å²	7	45 Å²	45	4%	0.043	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.4	-177.5	-166.7	0	0	0	0	115	A30 V33 N148 R166 I167	A30-T164 WeakPolarHBondContact O-CA 3.34Å; A30-T164 WeakPolarHBondContact O-CB 3.11Å; A30-T164 PolarHBondContact O-OG1 2.86Å; V33-T164 HydrophobicContact CB-CG2 4.14Å; V33-T164 HydrophobicContact CG2-CG2 3.78Å; V33-T164 PolarHBondContact N-OG1 3.02Å; N148-T164 CarbonylContact C-O 3.21Å; N148-T164 WeakPolarHBondContact CA-O 3.34Å; N148-T164 VanDerWaalsContact CB-O 3.24Å; N148-T164 WeakPolarHBondContact CB-O 3.44Å; N148-T164 PolarHBondContact ND2-O 2.58Å; N148-T164 PolarHBondContact O-N 3.29Å; T164-R166 WeakPolarHBondContact CG2-O 3.32Å; T164-R166 PolarHBondContact OG1-N 3.39Å; T164-R166 PolarHBondContact OG1-O 3.49Å; T164-R166 VanDerWaalsContact OG1-O 3.05Å; T164-I167 HydrophobicContact CG2-CD1 4.28Å; T164-I167 HydrophobicContact CG2-CG1 3.59Å
165	E	98.3	Very high	97.5	Very high	88 Å²	88	43.5 Å²	43.5	41%	0.411	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-36.4	173.3	-55.2	-171.7	167.9	0	0	111.9	A30 D31 N148 N336	A30-E165 PolarHBondContact O-N 3.11Å; D31-E165 WeakPolarHBondContact O-CB 3.33Å; N148-E165 PolarHBondContact ND2-O 3.26Å; E165-N336 WeakPolarHBondContact O-CB 3.35Å; E165-N336 PolarHBondContact O-ND2 3.43Å
166	R	98.7	Very high	97.7	Very high	51 Å²	51	39.9 Å²	39.9	19%	0.192	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.4	-175.2	-59.5	172	-169.3	70.8	-1.4	111.3	D31 V32 V33 T164 N336 Y338 M364	D31-R166 PolarHBondContact O-N 3.31Å; D31-R166 VanDerWaalsContact O-N 3.16Å; V32-R166 WeakPolarHBondContact CA-O 3.39Å; V32-R166 HydrophobicContact CB-CB 4.34Å; V32-R166 HydrophobicContact CG2-CB 4.22Å; V33-R166 PolarHBondContact N-O 2.85Å; T164-R166 WeakPolarHBondContact CG2-O 3.32Å; T164-R166 PolarHBondContact OG1-N 3.39Å; T164-R166 PolarHBondContact OG1-O 3.49Å; T164-R166 VanDerWaalsContact OG1-O 3.05Å; R166-N336 WeakPolarHBondContact CA-O 2.95Å; R166-Y338 HydrophobicContact CG-CE2 4.49Å; R166-M364 HydrophobicContact CB-SD 4.36Å
167	I	98.9	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.8	174.3	-59.2	171	0	0	0	108.5	V33 I35 I144 V150 T164 I169 N336 I337 Y338	V33-I167 CarbonylContact O-C 3.59Å; V33-I167 WeakPolarHBondContact O-CA 3.38Å; I35-I167 HydrophobicContact CD1-CG2 3.94Å; I35-I167 HydrophobicContact CG1-CG2 4.36Å; I144-I167 HydrophobicContact CD1-CG2 4.09Å; I144-I167 HydrophobicContact CG1-CD1 4.35Å; I144-I167 HydrophobicContact CG1-CG2 4.33Å; I144-I167 HydrophobicContact CG2-CD1 3.93Å; V150-I167 HydrophobicContact CG2-CD1 3.71Å; V150-I167 HydrophobicContact CG2-CG1 3.97Å; V150-I167 HydrophobicContact CG2-CG2 4.35Å; T164-I167 HydrophobicContact CG2-CD1 4.28Å; T164-I167 HydrophobicContact CG2-CG1 3.59Å; I167-I169 HydrophobicContact CG2-CG1 4.46Å; I167-N336 PolarHBondContact N-O 3.25Å; I167-I337 HydrophobicContact CB-CG1 4.24Å; I167-I337 HydrophobicContact CB-CG2 4.36Å; I167-I337 HydrophobicContact CD1-CD1 4.45Å; I167-I337 HydrophobicContact CD1-CG1 4.38Å; I167-I337 HydrophobicContact CG2-CG2 4.48Å; I167-I337 CarbonylContact O-C 3.52Å; I167-I337 WeakPolarHBondContact O-CA 3.21Å; I167-Y338 PolarHBondContact O-N 3.21Å
168	L	98.9	Very high	97.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.9	173.5	178.7	60.5	0	0	0	110.1	V32 V33 V34 I35 A44 I340 V361 M364	V32-L168 HydrophobicContact CG2-CB 4.45Å; V33-L168 PolarHBondContact O-N 3.42Å; V34-L168 CarbonylContact C-O 3.51Å; V34-L168 WeakPolarHBondContact CA-O 3.49Å; V34-L168 HydrophobicContact CG1-CB 4.41Å; V34-L168 HydrophobicContact CG1-CD2 4.24Å; V34-L168 HydrophobicContact CG1-CG 4.32Å; V34-L168 HydrophobicContact CG2-CB 4.21Å; V34-L168 HydrophobicContact CG2-CD2 4.15Å; I35-L168 PolarHBondContact N-O 3.23Å; A44-L168 HydrophobicContact CB-CD2 3.4Å; L168-I340 HydrophobicContact CD1-CB 4.49Å; L168-I340 HydrophobicContact CD1-CD1 4.19Å; L168-I340 HydrophobicContact CD1-CG1 3.96Å; L168-I340 HydrophobicContact CD1-CG2 3.92Å; L168-I340 HydrophobicContact CD2-CD1 4Å; L168-I340 HydrophobicContact CG-CD1 4.29Å; L168-I340 HydrophobicContact CG-CG1 4.37Å; L168-V361 HydrophobicContact CD2-CG2 4.23Å; L168-M364 HydrophobicContact CB-CE 4.21Å; L168-M364 HydrophobicContact CD1-CE 4.28Å; L168-M364 HydrophobicContact CD2-CE 4.44Å
169	I	98.9	Very high	97.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	117.5	178.2	-58.3	166.2	0	0	0	109	I144 I167 T171 L309 L311 I324 I337 Y338 A339 I340	I144-I169 HydrophobicContact CD1-CD1 3.83Å; I144-I169 HydrophobicContact CD1-CG1 4.1Å; I167-I169 HydrophobicContact CG2-CG1 4.46Å; I169-T171 HydrophobicContact CG2-CG2 4Å; I169-L309 HydrophobicContact CD1-CD2 4.04Å; I169-L309 HydrophobicContact CG1-CD2 4.18Å; I169-L309 HydrophobicContact CG2-CD2 3.53Å; I169-L311 HydrophobicContact CD1-CD2 3.86Å; I169-I324 HydrophobicContact CB-CD1 4.31Å; I169-I324 HydrophobicContact CD1-CD1 3.91Å; I169-I324 HydrophobicContact CG2-CD1 3.67Å; I169-I337 HydrophobicContact CD1-CG2 3.7Å; I169-I337 HydrophobicContact CG1-CG2 4.23Å; I169-Y338 WeakPolarHBondContact CB-O 3.17Å; I169-Y338 PolarHBondContact N-O 3.06Å; I169-A339 HydrophobicContact CB-CB 3.96Å; I169-A339 WeakPolarHBondContact O-CA 3.49Å; I169-I340 PolarHBondContact O-N 3.31Å
170	A	98.9	Very high	97.6	Very high	9 Å²	9	37.4 Å²	37.4	7%	0.074	22%	0.222	C	C	.	.			trans	-133	38.9	177.2	0	0	0	0	0	110.6	V34 I35 G172 I340	V34-A170 HydrophobicContact CG1-CB 4.24Å; I35-A170 CarbonylContact O-C 3.53Å; I35-A170 WeakPolarHBondContact O-CA 3.37Å; I35-A170 PolarHBondContact O-N 2.9Å; A170-G172 PolarHBondContact O-N 3Å; A170-I340 HydrophobicContact CB-CD1 4.24Å; A170-I340 HydrophobicContact CB-CG1 4Å
171	T	98.8	Very high	97.6	Very high	30 Å²	30	36 Å²	36	18%	0.184	22%	0.215	C	C	.	.			trans	-73.3	-5.5	-171.5	51.2	0	0	0	0	114.5	I35 I169 Y305 L309	I35-T171 HydrophobicContact CB-CG2 4.46Å; I35-T171 HydrophobicContact CG2-CG2 3.91Å; I35-T171 PolarHBondContact O-N 3.47Å; I169-T171 HydrophobicContact CG2-CG2 4Å; T171-Y305 VanDerWaalsContact CB-O 3.25Å; T171-Y305 WeakPolarHBondContact CB-O 3.46Å; T171-Y305 PolarHBondContact OG1-O 2.94Å; T171-L309 HydrophobicContact CG2-CD1 3.93Å; T171-L309 HydrophobicContact CG2-CD2 4.08Å
172	G	98.7	Very high	97.5	Very high	16 Å²	16	38.5 Å²	38.5	17%	0.165	24%	0.236	C	C	.	.			trans	72.3	-139.8	168.7	0	0	0	0	0	113.7	A170 Y305	A170-G172 PolarHBondContact O-N 3Å; G172-Y305 PolarHBondContact O-N 2.98Å
173	S	98.8	Very high	97.5	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.063	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166.6	-174.4	53	0	0	0	0	112.5	R302 R303 D342	S173-R302 PolarHBondContact O-NH2 3.09Å; S173-R302 VanDerWaalsContact OG-CZ 3.24Å; S173-R302 PolarHBondContact OG-NE 2.9Å; S173-R302 PolarHBondContact OG-NH2 3.01Å; S173-R303 CarbonylContact C-O 3.59Å; S173-R303 WeakPolarHBondContact CA-O 3.48Å; S173-R303 WeakPolarHBondContact CB-O 2.98Å; S173-D342 WeakPolarHBondContact CB-OD2 3.47Å; S173-D342 PolarHBondContact OG-OD2 2.92Å
174	E	98.3	Very high	97.4	Very high	55 Å²	55	42.8 Å²	42.8	26%	0.257	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	170.7	170.3	62.9	177.8	-172.6	0	0	111.3	R302 R303 Y305	E174-R302 CarbonylContact O-C 3.6Å; E174-R302 VanDerWaalsContact O-CA 3.28Å; E174-R302 WeakPolarHBondContact O-CA 3.33Å; E174-R303 HydrophobicContact CG-CG 3.72Å; E174-R303 PolarHBondContact N-O 3.29Å; E174-R303 PolarHBondContact O-N 2.89Å; E174-R303 IonicContact OE1-CZ 3.33Å; E174-R303 IonicContact OE1-NE 3.12Å; E174-R303 PolarHBondContact OE1-NE 3.23Å; E174-R303 IonicContact OE1-NH2 3.2Å; E174-R303 PolarHBondContact OE1-NH2 2.93Å; E174-Y305 HydrophobicContact CB-CD2 4.32Å; E174-Y305 HydrophobicContact CG-CD2 4.21Å; E174-Y305 WeakPolarHBondContact OE2-CD2 3.41Å
175	V	98	Very high	97.3	Very high	37 Å²	37	46.1 Å²	46.1	22%	0.224	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	135.4	176.8	176.8	0	0	0	0	109.2	P177	V175-P177 WeakPolarHBondContact O-CD 3.36Å
176	T	97.9	Very high	97.2	Very high	37 Å²	37	49 Å²	49	23%	0.227	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-74.8	117.4	172.5	-57.3	0	0	0	0	108.7	I300 G301 R302	T176-I300 HydrophobicContact CG2-CD1 4.01Å; T176-I300 HydrophobicContact CG2-CG1 4.35Å; T176-G301 WeakPolarHBondContact CB-O 3.35Å; T176-G301 PolarHBondContact N-O 2.99Å; T176-G301 VanDerWaalsContact OG1-C 3.29Å; T176-G301 PolarHBondContact OG1-O 3.32Å; T176-R302 VanDerWaalsContact OG1-C 3.26Å; T176-R302 WeakPolarHBondContact OG1-CA 3.36Å; T176-R302 PolarHBondContact OG1-N 2.95Å
177	P	96.3	Very high	97.1	Very high	64 Å²	64	47.3 Å²	47.3	42%	0.416	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-67.2	144.7	178	28.6	-34.1	0	0	0	110.2	V175	V175-P177 WeakPolarHBondContact O-CD 3.36Å
178	F	96.5	Very high	97	Very high	37 Å²	37	47.9 Å²	47.9	16%	0.162	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-89.6	118.2	171.1	-168.6	-72.2	0	0	0	108.7	G180 I181 I207 V266 V298 I300	F178-G180 PolarHBondContact O-N 3.49Å; F178-G180 VanDerWaalsContact O-N 3.16Å; F178-I181 HydrophobicContact CB-CB 4.27Å; F178-I181 HydrophobicContact CD1-CB 4.16Å; F178-I181 HydrophobicContact CD1-CD1 3.54Å; F178-I181 HydrophobicContact CD1-CG1 3.72Å; F178-I181 HydrophobicContact CE1-CD1 3.89Å; F178-I181 HydrophobicContact CE1-CG1 4.28Å; F178-I181 HydrophobicContact CG-CD1 4Å; F178-I181 HydrophobicContact CG-CG1 4.41Å; F178-I181 PolarHBondContact O-N 3.08Å; F178-I181 VanDerWaalsContact O-N 3.07Å; F178-I207 HydrophobicContact CD2-CG2 4.18Å; F178-I207 HydrophobicContact CE2-CG2 4.15Å; F178-V266 HydrophobicContact CE1-CG1 4.38Å; F178-V266 HydrophobicContact CE2-CB 4.07Å; F178-V266 HydrophobicContact CZ-CB 3.77Å; F178-V266 HydrophobicContact CZ-CG1 4.03Å; F178-V266 WeakPolarHBondContact CZ-O 3.44Å; F178-V298 HydrophobicContact CB-CG1 3.78Å; F178-I300 HydrophobicContact CB-CD1 4.21Å; F178-I300 HydrophobicContact CD2-CD1 3.96Å; F178-I300 HydrophobicContact CD2-CG2 3.97Å; F178-I300 HydrophobicContact CE2-CG2 4.47Å; F178-I300 HydrophobicContact CG-CD1 4.49Å
179	P	93.9	Very high	97	Very high	112 Å²	112	47.9 Å²	47.9	73%	0.727	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	122.3	-179.5	-26.2	35.3	0	0	0	112.2
180	G	92.7	Very high	97	Very high	71 Å²	71	48 Å²	48	73%	0.732	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	4.1	179.6	0	0	0	0	0	115.6	F178	F178-G180 PolarHBondContact O-N 3.49Å; F178-G180 VanDerWaalsContact O-N 3.16Å
181	I	95.9	Very high	97	Very high	8 Å²	8	48 Å²	48	4%	0.041	29%	0.285	C	S	.	.			trans	-123.5	109.9	171.8	-59.1	178.1	0	0	0	108.5	F178 V188 I207 V266 A269 L296 V298	F178-I181 HydrophobicContact CB-CB 4.27Å; F178-I181 HydrophobicContact CD1-CB 4.16Å; F178-I181 HydrophobicContact CD1-CD1 3.54Å; F178-I181 HydrophobicContact CD1-CG1 3.72Å; F178-I181 HydrophobicContact CE1-CD1 3.89Å; F178-I181 HydrophobicContact CE1-CG1 4.28Å; F178-I181 HydrophobicContact CG-CD1 4Å; F178-I181 HydrophobicContact CG-CG1 4.41Å; F178-I181 PolarHBondContact O-N 3.08Å; F178-I181 VanDerWaalsContact O-N 3.07Å; I181-V188 HydrophobicContact CG2-CG1 3.67Å; I181-I207 HydrophobicContact CD1-CD1 3.86Å; I181-V266 HydrophobicContact CD1-CG1 3.96Å; I181-A269 HydrophobicContact CD1-CB 3.76Å; I181-A269 HydrophobicContact CG1-CB 3.97Å; I181-A269 HydrophobicContact CG2-CB 4.31Å; I181-L296 HydrophobicContact CG2-CD2 4.28Å; I181-V298 HydrophobicContact CG2-CG2 4.09Å
182	D	95.1	Very high	96.9	Very high	150 Å²	150	49.2 Å²	49.2	80%	0.802	29%	0.292	S	S	*	.			trans	-83.9	125.2	176.8	-64.9	-38.8	0	0	0	110.5	V188	D182-V188 WeakPolarHBondContact O-CG1 3.26Å
183	V	97	Very high	96.9	Very high	55 Å²	55	48.9 Å²	48.9	33%	0.333	29%	0.289	S	S	.	.			trans	-82.7	117.8	176.4	174.3	0	0	0	0	108.8	E185 V188 V298	V183-E185 VanDerWaalsContact CG1-CD 3.5Å; V183-E185 HydrophobicContact CG1-CG 3.9Å; V183-V188 CarbonylContact C-O 3.59Å; V183-V188 WeakPolarHBondContact CA-O 3.48Å; V183-V188 WeakPolarHBondContact CG1-O 3.48Å; V183-V188 HydrophobicContact CG2-CG1 4.33Å; V183-V298 HydrophobicContact CG2-CB 4.26Å; V183-V298 HydrophobicContact CG2-CG2 4.17Å
184	D	95.9	Very high	96.9	Very high	62 Å²	62	48.4 Å²	48.4	33%	0.332	29%	0.286	S	S	.	.			trans	-96	-7	177.7	68.8	9.1	0	0	0	113.3	Q186 S187 V188 K271	D184-Q186 PolarHBondContact O-N 2.97Å; D184-Q186 VanDerWaalsContact O-N 3.15Å; D184-Q186 PolarHBondContact OD1-N 2.92Å; D184-S187 PolarHBondContact OD1-N 3.28Å; D184-S187 PolarHBondContact OD2-OG 3.12Å; D184-V188 PolarHBondContact N-O 3.3Å; D184-V188 PolarHBondContact OD1-N 3.06Å; D184-K271 IonicContact OD2-NZ 3.96Å; D184-K271 PolarHBondContact OD2-NZ 3.45Å
185	E	97.3	Very high	96.9	Very high	78 Å²	78	46 Å²	46	36%	0.364	28%	0.275	S	S	.	.	S	Bend	trans	55.1	21.7	-174.4	-57.9	-67	-171.7	0	0	114.2	V183 V188 S190 G193	V183-E185 VanDerWaalsContact CG1-CD 3.5Å; V183-E185 HydrophobicContact CG1-CG 3.9Å; E185-V188 PolarHBondContact N-O 2.74Å; E185-S190 VanDerWaalsContact OE1-CB 3.29Å; E185-S190 WeakPolarHBondContact OE1-CB 3.48Å; E185-S190 PolarHBondContact OE1-OG 2.9Å; E185-S190 PolarHBondContact OE2-N 2.84Å; E185-S190 PolarHBondContact OE2-OG 2.94Å; E185-G193 VanDerWaalsContact OE2-CA 3.24Å; E185-G193 WeakPolarHBondContact OE2-CA 3.29Å; E185-G193 PolarHBondContact OE2-N 2.75Å
186	Q	95.1	Very high	96.9	Very high	148 Å²	148	47.2 Å²	47.2	69%	0.692	29%	0.285	S	S	*	.	S	Bend	trans	-119.7	-56	175.1	-64.4	-178.1	0.9	0	0	111.7	D184	D184-Q186 PolarHBondContact O-N 2.97Å; D184-Q186 VanDerWaalsContact O-N 3.15Å; D184-Q186 PolarHBondContact OD1-N 2.92Å
187	S	96.8	Very high	96.9	Very high	15 Å²	15	46.3 Å²	46.3	11%	0.105	28%	0.278	C	S	.	.	S	Bend	trans	-121.6	-35.7	-178	63.2	0	0	0	0	111.7	D184 K271 I276 T295 L296	D184-S187 PolarHBondContact OD1-N 3.28Å; D184-S187 PolarHBondContact OD2-OG 3.12Å; S187-K271 VanDerWaalsContact OG-CE 3.27Å; S187-K271 WeakPolarHBondContact OG-CE 3.39Å; S187-K271 PolarHBondContact OG-NZ 3.46Å; S187-I276 VanDerWaalsContact O-CD1 3.32Å; S187-I276 WeakPolarHBondContact O-CD1 3.4Å; S187-T295 CarbonylContact O-C 3.58Å; S187-T295 WeakPolarHBondContact O-CA 3.34Å; S187-L296 PolarHBondContact O-N 3.13Å
188	V	98.1	Very high	96.9	Very high	12 Å²	12	49.2 Å²	49.2	7%	0.073	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	103.9	166.2	-175.9	0	0	0	0	106.1	I181 D182 V183 D184 E185 I276 L296 V298	I181-V188 HydrophobicContact CG2-CG1 3.67Å; D182-V188 WeakPolarHBondContact O-CG1 3.26Å; V183-V188 CarbonylContact C-O 3.59Å; V183-V188 WeakPolarHBondContact CA-O 3.48Å; V183-V188 WeakPolarHBondContact CG1-O 3.48Å; V183-V188 HydrophobicContact CG2-CG1 4.33Å; D184-V188 PolarHBondContact N-O 3.3Å; D184-V188 PolarHBondContact OD1-N 3.06Å; E185-V188 PolarHBondContact N-O 2.74Å; V188-I276 HydrophobicContact CG2-CD1 3.76Å; V188-I276 HydrophobicContact CG2-CG1 4.36Å; V188-L296 CarbonylContact C-O 3.51Å; V188-L296 WeakPolarHBondContact CA-O 3.46Å; V188-L296 HydrophobicContact CG1-CD2 4.25Å; V188-L296 HydrophobicContact CG2-CB 4.42Å; V188-L296 HydrophobicContact CG2-CD2 4.5Å; V188-V298 HydrophobicContact CG1-CG2 4.11Å
189	V	98.6	Very high	97	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150.9	-168.5	-60.4	0	0	0	0	111.4	A194 L197 T295 L296 L297 V298	V189-A194 HydrophobicContact CG2-CB 3.9Å; V189-L197 HydrophobicContact CG1-CD2 4.1Å; V189-T295 HydrophobicContact CG2-CG2 4.08Å; V189-L296 PolarHBondContact N-O 3.03Å; V189-L297 HydrophobicContact CG2-CB 4.24Å; V189-L297 HydrophobicContact CG2-CD1 4.32Å; V189-L297 CarbonylContact O-C 3.57Å; V189-L297 WeakPolarHBondContact O-CA 3.35Å; V189-V298 PolarHBondContact O-N 3.13Å
190	S	98.6	Very high	97.2	Very high	2 Å²	2	50 Å²	50	1%	0.014	29%	0.29	C	S	.	.			trans	-85.7	-172.2	159.5	76.5	0	0	0	0	109.9	E185 T192 G193 A194 L297	E185-S190 VanDerWaalsContact OE1-CB 3.29Å; E185-S190 WeakPolarHBondContact OE1-CB 3.48Å; E185-S190 PolarHBondContact OE1-OG 2.9Å; E185-S190 PolarHBondContact OE2-N 2.84Å; E185-S190 PolarHBondContact OE2-OG 2.94Å; S190-T192 PolarHBondContact O-N 3.08Å; S190-T192 WeakPolarHBondContact OG-CB 3.41Å; S190-T192 PolarHBondContact OG-N 3.1Å; S190-T192 VanDerWaalsContact OG-N 3.09Å; S190-G193 PolarHBondContact O-N 3.28Å; S190-A194 WeakPolarHBondContact O-CB 3.43Å; S190-A194 PolarHBondContact O-N 3.45Å; S190-L297 WeakPolarHBondContact O-CD1 3.1Å
191	S	98.1	Very high	97.5	Very high	10 Å²	10	46.8 Å²	46.8	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-56.8	-27.8	168.8	58.3	0	0	0	0	112.6	L195	S191-L195 WeakPolarHBondContact O-CD1 3.34Å; S191-L195 WeakPolarHBondContact O-CG 3.47Å; S191-L195 PolarHBondContact O-N 3.41Å
192	T	98.1	Very high	97.6	Very high	56 Å²	56	54.5 Å²	54.5	34%	0.344	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-53.9	178.6	-56.2	0	0	0	0	111.4	V71 S190 L195	V71-T192 HydrophobicContact CB-CG2 4.39Å; V71-T192 HydrophobicContact CG1-CG2 3.94Å; S190-T192 PolarHBondContact O-N 3.08Å; S190-T192 WeakPolarHBondContact OG-CB 3.41Å; S190-T192 PolarHBondContact OG-N 3.1Å; S190-T192 VanDerWaalsContact OG-N 3.09Å; T192-L195 PolarHBondContact O-N 3.23Å
193	G	98.1	Very high	97.7	Very high	8 Å²	8	48.7 Å²	48.7	8%	0.082	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-38.5	176.8	0	0	0	0	0	112.6	E185 S190 L195 S196 L197	E185-G193 VanDerWaalsContact OE2-CA 3.24Å; E185-G193 WeakPolarHBondContact OE2-CA 3.29Å; E185-G193 PolarHBondContact OE2-N 2.75Å; S190-G193 PolarHBondContact O-N 3.28Å; G193-L195 PolarHBondContact O-N 3.42Å; G193-L195 VanDerWaalsContact O-N 3.13Å; G193-S196 CarbonylContact O-C 3.56Å; G193-S196 PolarHBondContact O-N 2.94Å; G193-L197 PolarHBondContact O-N 2.99Å
194	A	98.5	Very high	97.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-18.1	178.3	0	0	0	0	0	114.4	V189 S190 S196 L216 W220 L297	V189-A194 HydrophobicContact CG2-CB 3.9Å; S190-A194 WeakPolarHBondContact O-CB 3.43Å; S190-A194 PolarHBondContact O-N 3.45Å; A194-S196 VanDerWaalsContact C-N 3.33Å; A194-L216 HydrophobicContact CB-CD1 3.93Å; A194-W220 VanDerWaalsContact O-CZ2 3.26Å; A194-W220 WeakPolarHBondContact O-CZ2 3.44Å; A194-W220 PolarHBondContact O-NE1 3.31Å; A194-L297 HydrophobicContact CB-CD1 3.92Å; A194-L297 HydrophobicContact CB-CD2 4.3Å
195	L	98.5	Very high	98	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.026	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.6	174	-72.7	167.9	0	0	0	113.7	P75 L79 S191 T192 G193 L216	P75-L195 HydrophobicContact CB-CD1 4.02Å; P75-L195 HydrophobicContact CB-CD2 4.14Å; P75-L195 HydrophobicContact CG-CD1 3.75Å; L79-L195 HydrophobicContact CD1-CD2 3.89Å; S191-L195 WeakPolarHBondContact O-CD1 3.34Å; S191-L195 WeakPolarHBondContact O-CG 3.47Å; S191-L195 PolarHBondContact O-N 3.41Å; T192-L195 PolarHBondContact O-N 3.23Å; G193-L195 PolarHBondContact O-N 3.42Å; G193-L195 VanDerWaalsContact O-N 3.13Å; L195-L216 HydrophobicContact CD2-CD2 3.67Å; L195-L216 HydrophobicContact CG-CD2 4.29Å
196	S	97.8	Very high	98	Very high	62 Å²	62	39.4 Å²	39.4	43%	0.434	21%	0.211	S	C	.	.	S	Bend	trans	-139.4	16.3	-170.7	-56.8	0	0	0	0	113.3	G193 A194 T198	G193-S196 CarbonylContact O-C 3.56Å; G193-S196 PolarHBondContact O-N 2.94Å; A194-S196 VanDerWaalsContact C-N 3.33Å; S196-T198 PolarHBondContact O-N 2.67Å
197	L	98.1	Very high	98.2	Very high	18 Å²	18	32.6 Å²	32.6	9%	0.094	18%	0.179	C	C	.	.			trans	-59.8	129.7	175.7	-61.7	173	0	0	0	110.3	L112 V189 G193 K199 P201 W220 T295	L112-L197 WeakPolarHBondContact CD1-O 3.3Å; V189-L197 HydrophobicContact CG1-CD2 4.1Å; G193-L197 PolarHBondContact O-N 2.99Å; L197-K199 VanDerWaalsContact C-N 3.33Å; L197-P201 HydrophobicContact CD1-CG 3.75Å; L197-W220 HydrophobicContact CB-CH2 3.62Å; L197-W220 HydrophobicContact CB-CZ2 3.64Å; L197-W220 HydrophobicContact CB-CZ3 4.41Å; L197-W220 HydrophobicContact CD1-CD2 4.23Å; L197-W220 HydrophobicContact CD1-CH2 4.28Å; L197-W220 HydrophobicContact CD1-CZ2 3.74Å; L197-W220 HydrophobicContact CG-CH2 4.41Å; L197-W220 HydrophobicContact CG-CZ2 3.96Å; L197-T295 HydrophobicContact CD1-CG2 4.06Å; L197-T295 HydrophobicContact CD2-CG2 4.25Å
198	T	96.7	Very high	98.3	Very high	125 Å²	125	32.1 Å²	32.1	77%	0.767	18%	0.177	S	C	*	.	S	Bend	trans	-84.6	-8.7	-174.3	55.1	0	0	0	0	113.7	S196	S196-T198 PolarHBondContact O-N 2.67Å
199	K	97.5	Very high	98.3	Very high	127 Å²	127	31.6 Å²	31.6	55%	0.552	17%	0.174	S	C	*	.	S	Bend	trans	-138.5	153.6	173.4	63.6	178.8	-175.9	174.2	0	109.4	L197 P201	L197-K199 VanDerWaalsContact C-N 3.33Å; K199-P201 WeakPolarHBondContact O-CD 3.44Å
200	V	98.5	Very high	98.2	Very high	38 Å²	38	32.5 Å²	32.5	23%	0.23	18%	0.183	C	C	.	.			trans	-69.2	125.3	168.8	-178.7	0	0	0	0	107.7	L106 L108 W220 L223 A225	L106-V200 HydrophobicContact CD2-CG2 3.55Å; L108-V200 HydrophobicContact CD2-CG2 4.31Å; V200-W220 HydrophobicContact CG1-CE3 4.42Å; V200-W220 HydrophobicContact CG2-CE3 4.5Å; V200-W220 HydrophobicContact CG2-CZ3 4.23Å; V200-L223 HydrophobicContact CG1-CB 4.31Å; V200-L223 HydrophobicContact CG2-CB 3.98Å; V200-A225 HydrophobicContact CG1-CB 4.06Å
201	P	98.4	Very high	98.2	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.019	20%	0.196	C	C	.	.			trans	-58.4	146.9	175.2	-24.9	35.2	0	0	0	111.4	L197 K199 L204 A225 D294 T295	L197-P201 HydrophobicContact CD1-CG 3.75Å; K199-P201 WeakPolarHBondContact O-CD 3.44Å; P201-L204 HydrophobicContact CB-CB 4.17Å; P201-L204 HydrophobicContact CG-CB 4.39Å; P201-A225 HydrophobicContact CB-CB 4.35Å; P201-A225 VanDerWaalsContact O-CA 3.3Å; P201-A225 WeakPolarHBondContact O-CA 3.42Å; P201-A225 WeakPolarHBondContact O-CB 3.22Å; P201-D294 WeakPolarHBondContact CA-OD2 3.41Å; P201-T295 HydrophobicContact CG-CG2 4.35Å
202	Q	98.5	Very high	98.2	Very high	171 Å²	171	37 Å²	37	80%	0.799	21%	0.207	S	C	*	.	S	Bend	trans	-70.2	-47.7	169.9	-66.1	-175.1	-0.2	0	0	109.9	E226 D294	Q202-E226 WeakPolarHBondContact O-CB 3.47Å; Q202-E226 PolarHBondContact O-N 3.5Å; Q202-D294 PolarHBondContact N-OD1 2.92Å; Q202-D294 PolarHBondContact N-OD2 2.74Å
203	H	98.7	Very high	98.2	Very high	27 Å²	27	34.4 Å²	34.4	13%	0.125	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	116.6	174.3	-172.2	-178.6	0	0	0	109.8	E226 T228 D292 C293 D294 T295	H203-E226 CarbonylContact C-O 3.55Å; H203-E226 WeakPolarHBondContact CA-O 3.48Å; H203-E226 HydrophobicContact CB-CB 4.27Å; H203-E226 PolarHBondContact CD2-O 3.4Å; H203-T228 PolarHBondContact NE2-OG1 2.86Å; H203-T228 VanDerWaalsContact NE2-OG1 3.15Å; H203-D292 PolarHBondContact CE1-O 3.16Å; H203-D292 PolarHBondContact ND1-O 3.03Å; H203-C293 HydrophobicContact CB-CB 4.35Å; H203-C293 VanDerWaalsContact O-CB 3.31Å; H203-C293 WeakPolarHBondContact O-CB 3.32Å; H203-D294 PolarHBondContact N-OD1 3.01Å; H203-D294 PolarHBondContact O-N 3.35Å; H203-T295 PolarHBondContact O-N 3.4Å
204	L	98.8	Very high	98.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.3	172.1	174.3	65	0	0	0	109.9	P201 V206 W220 E226 V227 T228 T295 L297	P201-L204 HydrophobicContact CB-CB 4.17Å; P201-L204 HydrophobicContact CG-CB 4.39Å; L204-V206 HydrophobicContact CD2-CG2 4.01Å; L204-V206 HydrophobicContact CG-CG2 3.92Å; L204-W220 HydrophobicContact CD2-CB 3.76Å; L204-W220 HydrophobicContact CD2-CG 3.98Å; L204-E226 PolarHBondContact N-O 2.77Å; L204-V227 HydrophobicContact CB-CG2 4.29Å; L204-V227 HydrophobicContact CD2-CG2 4.42Å; L204-V227 WeakPolarHBondContact O-CA 3.43Å; L204-T228 PolarHBondContact O-N 3.32Å; L204-T295 WeakPolarHBondContact CA-O 3.47Å; L204-T295 HydrophobicContact CD1-CG2 3.74Å; L204-L297 HydrophobicContact CD1-CB 4Å
205	I	98.8	Very high	98.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.7	163.8	-68.5	174	0	0	0	108.9	T228 V230 V278 I291 C293 T295 L296 L297	I205-T228 WeakPolarHBondContact CA-O 3.44Å; I205-V230 HydrophobicContact CG2-CG2 4.04Å; I205-V278 HydrophobicContact CD1-CB 4.17Å; I205-V278 HydrophobicContact CD1-CG2 3.74Å; I205-V278 HydrophobicContact CG2-CG2 4.41Å; I205-I291 HydrophobicContact CD1-CB 3.9Å; I205-I291 HydrophobicContact CD1-CG2 3.7Å; I205-C293 HydrophobicContact CB-CB 4.27Å; I205-C293 HydrophobicContact CD1-CB 3.68Å; I205-C293 HydrophobicContact CG1-CB 3.69Å; I205-T295 PolarHBondContact N-O 3.41Å; I205-L296 HydrophobicContact CB-CD1 3.68Å; I205-L296 HydrophobicContact CG2-CD1 3.52Å; I205-L296 WeakPolarHBondContact O-CA 3.45Å; I205-L297 PolarHBondContact O-N 3.06Å
206	V	98.8	Very high	98.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.4	177.3	-178.1	0	0	0	0	108.8	L204 V227 T228 C229 V230 L297 C299	L204-V206 HydrophobicContact CD2-CG2 4.01Å; L204-V206 HydrophobicContact CG-CG2 3.92Å; V206-V227 HydrophobicContact CG2-CG1 4.08Å; V206-T228 PolarHBondContact N-O 2.95Å; V206-C229 HydrophobicContact CB-CB 4.46Å; V206-C229 CarbonylContact O-C 3.56Å; V206-C229 WeakPolarHBondContact O-CA 3.2Å; V206-V230 PolarHBondContact O-N 3.27Å; V206-L297 HydrophobicContact CG1-CD2 3.99Å; V206-L297 HydrophobicContact CG1-CG 4.27Å; V206-L297 HydrophobicContact CG2-CB 4.39Å; V206-L297 HydrophobicContact CG2-CD2 4.21Å; V206-C299 WeakPolarHBondContact CG1-SG 3.32Å
207	I	98.5	Very high	98.3	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	106.9	174.3	-52.6	178.2	0	0	0	108.7	F178 I181 V266 L296 L297 V298 C299 I300	F178-I207 HydrophobicContact CD2-CG2 4.18Å; F178-I207 HydrophobicContact CE2-CG2 4.15Å; I181-I207 HydrophobicContact CD1-CD1 3.86Å; I207-V266 HydrophobicContact CD1-CB 4.46Å; I207-V266 HydrophobicContact CD1-CG1 4.01Å; I207-V266 HydrophobicContact CD1-CG2 4.02Å; I207-V266 HydrophobicContact CG1-CG2 4.02Å; I207-V266 HydrophobicContact CG2-CG2 3.78Å; I207-L296 HydrophobicContact CD1-CD1 3.79Å; I207-L296 HydrophobicContact CD1-CD2 4.06Å; I207-L296 HydrophobicContact CD1-CG 4.14Å; I207-L296 HydrophobicContact CG1-CD1 3.79Å; I207-L297 PolarHBondContact N-O 3.46Å; I207-V298 HydrophobicContact CD1-CG2 4.43Å; I207-C299 CarbonylContact O-C 3.58Å; I207-C299 PolarHBondContact O-N 3.28Å; I207-C299 PolarHBondContact O-SG 3.08Å; I207-C299 VanDerWaalsContact O-SG 3.34Å; I207-I300 HydrophobicContact CB-CG2 4.44Å; I207-I300 HydrophobicContact CG2-CG2 3.59Å; I207-I300 PolarHBondContact O-N 3.01Å
208	G	97.9	Very high	98.4	Very high	5 Å²	5	30.5 Å²	30.5	5%	0.052	16%	0.163	C	C	.	.			trans	105.5	111.5	-175.7	0	0	0	0	0	111.8	G210 V230 E231 C299	G208-G210 VanDerWaalsContact C-N 3.25Å; G208-G210 PolarHBondContact O-N 3Å; G208-V230 PolarHBondContact N-O 3.45Å; G208-E231 WeakPolarHBondContact CA-OE2 3.47Å; G208-C299 PolarHBondContact O-SG 3.38Å; G208-C299 VanDerWaalsContact O-SG 3.39Å
209	A	98.1	Very high	98.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	13%	0.127	C	C	.	.			trans	-92.7	32.9	175	0	0	0	0	0	112.3	V214 C229 E231 V236 G237 F260	A209-V214 HydrophobicContact CB-CG1 4.45Å; A209-C229 HydrophobicContact CB-CB 4.3Å; A209-E231 HydrophobicContact CB-CB 3.71Å; A209-E231 HydrophobicContact CB-CG 4Å; A209-E231 PolarHBondContact N-OE2 3.45Å; A209-V236 HydrophobicContact CB-CB 4.34Å; A209-V236 HydrophobicContact CB-CG1 4Å; A209-G237 PolarHBondContact O-N 2.9Å; A209-F260 HydrophobicContact CB-CD1 4.38Å; A209-F260 HydrophobicContact CB-CE1 4.35Å
210	G	97.9	Very high	98.5	Very high	18 Å²	18	18.6 Å²	18.6	19%	0.186	10%	0.101	C	C	.	.	S	Bend	trans	-73.2	-177	166.7	0	0	0	0	0	112.4	G208 I212 G213 V214	G208-G210 VanDerWaalsContact C-N 3.25Å; G208-G210 PolarHBondContact O-N 3Å; G210-I212 PolarHBondContact O-N 2.94Å; G210-G213 PolarHBondContact O-N 3.23Å; G210-G213 VanDerWaalsContact O-N 3.11Å; G210-V214 WeakPolarHBondContact O-CG2 3.39Å; G210-V214 PolarHBondContact O-N 3.16Å
211	V	98.3	Very high	98.5	Very high	50 Å²	50	19.7 Å²	19.7	30%	0.303	10%	0.103	S	C	.	.	H	α-helix	trans	-48.9	-53.5	-176.9	-179.6	0	0	0	0	112.9	G213 V214 E215 G237 I380	V211-G213 VanDerWaalsContact C-N 3.34Å; V211-G213 PolarHBondContact O-N 2.89Å; V211-V214 VanDerWaalsContact O-CG2 3.3Å; V211-V214 WeakPolarHBondContact O-CG2 3.43Å; V211-E215 WeakPolarHBondContact O-CB 3.4Å; V211-E215 WeakPolarHBondContact O-CG 3.4Å; V211-E215 PolarHBondContact O-N 3.2Å; V211-E215 VanDerWaalsContact O-N 3.07Å; V211-G237 WeakPolarHBondContact CG2-O 3.48Å; V211-I380 HydrophobicContact CB-CG1 4.45Å; V211-I380 HydrophobicContact CG1-CB 4.47Å; V211-I380 HydrophobicContact CG1-CG1 4.08Å; V211-I380 HydrophobicContact CG1-CG2 4.32Å; V211-I380 HydrophobicContact CG2-CD1 4.09Å; V211-I380 HydrophobicContact CG2-CG1 3.93Å
212	I	98.4	Very high	98.5	Very high	58 Å²	58	20.3 Å²	20.3	30%	0.297	11%	0.105	S	C	.	.	H	α-helix	trans	-61.7	-43.5	-178.5	-65.1	170.4	0	0	0	111.1	G210 E215 L216 C299 R302	G210-I212 PolarHBondContact O-N 2.94Å; I212-E215 PolarHBondContact O-N 3.19Å; I212-L216 HydrophobicContact CG2-CD1 3.84Å; I212-L216 HydrophobicContact CG2-CG 4.34Å; I212-L216 WeakPolarHBondContact O-CB 3.48Å; I212-L216 WeakPolarHBondContact O-CG 3.26Å; I212-L216 PolarHBondContact O-N 2.91Å; I212-C299 HydrophobicContact CG2-CB 4.13Å; I212-R302 HydrophobicContact CD1-CG 4.45Å
213	G	98.3	Very high	98.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-65.8	-44.6	-176.8	0	0	0	0	0	112.6	G210 V211 G217 C299	G210-G213 PolarHBondContact O-N 3.23Å; G210-G213 VanDerWaalsContact O-N 3.11Å; V211-G213 VanDerWaalsContact C-N 3.34Å; V211-G213 PolarHBondContact O-N 2.89Å; G213-G217 WeakPolarHBondContact O-CA 3.31Å; G213-G217 PolarHBondContact O-N 3.42Å; G213-C299 WeakPolarHBondContact CA-SG 3.49Å
214	V	98.6	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.8	-36.8	177.9	-61.1	0	0	0	0	112.1	A209 G210 V211 S218 F249 L253 F260 I380 T382	A209-V214 HydrophobicContact CB-CG1 4.45Å; G210-V214 WeakPolarHBondContact O-CG2 3.39Å; G210-V214 PolarHBondContact O-N 3.16Å; V211-V214 VanDerWaalsContact O-CG2 3.3Å; V211-V214 WeakPolarHBondContact O-CG2 3.43Å; V214-S218 VanDerWaalsContact O-CB 3.3Å; V214-S218 WeakPolarHBondContact O-CB 3.4Å; V214-S218 PolarHBondContact O-N 3.03Å; V214-S218 PolarHBondContact O-OG 3.31Å; V214-S218 VanDerWaalsContact O-OG 3.05Å; V214-F249 HydrophobicContact CG2-CE1 4.08Å; V214-F249 HydrophobicContact CG2-CZ 4.18Å; V214-L253 HydrophobicContact CB-CD1 4.14Å; V214-L253 HydrophobicContact CG1-CD1 4.33Å; V214-F260 HydrophobicContact CG1-CE1 4.31Å; V214-I380 HydrophobicContact CG2-CG2 3.71Å; V214-T382 HydrophobicContact CG2-CG2 4.43Å
215	E	98.8	Very high	98.5	Very high	6 Å²	6	13.9 Å²	13.9	3%	0.028	9%	0.09	C	C	.	.	H	α-helix	trans	-63.6	-54.4	176	-78.4	-174	174.3	0	0	111.9	K77 L80 V211 I212 G217 S218 V219 I380 Y381 T382	K77-E215 IonicContact NZ-OE1 2.68Å; K77-E215 PolarHBondContact NZ-OE1 3.21Å; K77-E215 IonicContact NZ-OE2 2.72Å; K77-E215 PolarHBondContact NZ-OE2 3.39Å; L80-E215 HydrophobicContact CD1-CB 4.04Å; L80-E215 HydrophobicContact CD1-CG 3.92Å; L80-E215 HydrophobicContact CD2-CB 4.33Å; V211-E215 WeakPolarHBondContact O-CB 3.4Å; V211-E215 WeakPolarHBondContact O-CG 3.4Å; V211-E215 PolarHBondContact O-N 3.2Å; V211-E215 VanDerWaalsContact O-N 3.07Å; I212-E215 PolarHBondContact O-N 3.19Å; E215-G217 VanDerWaalsContact C-N 3.34Å; E215-G217 PolarHBondContact O-N 3.27Å; E215-S218 PolarHBondContact O-N 3.19Å; E215-V219 WeakPolarHBondContact O-CG2 3.46Å; E215-V219 PolarHBondContact O-N 3.07Å; E215-I380 HydrophobicContact CG-CG2 4.05Å; E215-Y381 WeakPolarHBondContact OE1-CD2 2.93Å; E215-Y381 PolarHBondContact OE1-N 3.01Å; E215-T382 HydrophobicContact CG-CG2 4.48Å
216	L	98.8	Very high	98.5	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-68.9	-35.2	-178.8	-62.4	-177.4	0	0	0	111.7	A194 L195 I212 V219 W220 L297	A194-L216 HydrophobicContact CB-CD1 3.93Å; L195-L216 HydrophobicContact CD2-CD2 3.67Å; L195-L216 HydrophobicContact CG-CD2 4.29Å; I212-L216 HydrophobicContact CG2-CD1 3.84Å; I212-L216 HydrophobicContact CG2-CG 4.34Å; I212-L216 WeakPolarHBondContact O-CB 3.48Å; I212-L216 WeakPolarHBondContact O-CG 3.26Å; I212-L216 PolarHBondContact O-N 2.91Å; L216-V219 PolarHBondContact O-N 3.1Å; L216-W220 PolarHBondContact O-N 2.94Å; L216-W220 VanDerWaalsContact O-N 3.09Å; L216-L297 HydrophobicContact CB-CD2 3.89Å; L216-L297 HydrophobicContact CD1-CD2 3.99Å
217	G	98.7	Very high	98.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.2	-44.8	170.5	0	0	0	0	0	112	G213 E215 W220 K221	G213-G217 WeakPolarHBondContact O-CA 3.31Å; G213-G217 PolarHBondContact O-N 3.42Å; E215-G217 VanDerWaalsContact C-N 3.34Å; E215-G217 PolarHBondContact O-N 3.27Å; G217-W220 PolarHBondContact O-N 3.11Å; G217-K221 VanDerWaalsContact O-CB 3.23Å; G217-K221 WeakPolarHBondContact O-CB 3.4Å; G217-K221 PolarHBondContact O-N 3.38Å
218	S	98.8	Very high	98.5	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-63.6	-41.3	175.1	-72.8	0	0	0	0	112.6	V214 E215 R222	V214-S218 VanDerWaalsContact O-CB 3.3Å; V214-S218 WeakPolarHBondContact O-CB 3.4Å; V214-S218 PolarHBondContact O-N 3.03Å; V214-S218 PolarHBondContact O-OG 3.31Å; V214-S218 VanDerWaalsContact O-OG 3.05Å; E215-S218 PolarHBondContact O-N 3.19Å; S218-R222 WeakPolarHBondContact O-CB 3.3Å; S218-R222 WeakPolarHBondContact O-CD 3.44Å; S218-R222 WeakPolarHBondContact O-CG 3.28Å; S218-R222 PolarHBondContact O-N 2.97Å; S218-R222 VanDerWaalsContact O-N 3.07Å
219	V	98.8	Very high	98.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-54.4	-58.2	174.6	170.1	0	0	0	0	110.1	L79 L80 E215 L216 K221 R222 L223	L79-V219 HydrophobicContact CB-CG1 3.9Å; L79-V219 HydrophobicContact CB-CG2 4.06Å; L80-V219 HydrophobicContact CB-CG2 4.4Å; L80-V219 HydrophobicContact CD2-CG2 3.7Å; L80-V219 HydrophobicContact CG-CG2 3.73Å; E215-V219 WeakPolarHBondContact O-CG2 3.46Å; E215-V219 PolarHBondContact O-N 3.07Å; L216-V219 PolarHBondContact O-N 3.1Å; V219-K221 PolarHBondContact O-N 3.35Å; V219-R222 PolarHBondContact O-N 3.37Å; V219-L223 HydrophobicContact CG1-CD1 4.18Å; V219-L223 WeakPolarHBondContact O-CG 3.41Å; V219-L223 PolarHBondContact O-N 2.75Å
220	W	98.8	Very high	98.6	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-70.4	-32.7	-173.7	-68.3	112.7	0	0	0	112.8	L108 A194 L197 V200 L204 L216 G217 R222 L223 G224 A225	L108-W220 HydrophobicContact CD1-CH2 4.18Å; L108-W220 HydrophobicContact CD1-CZ3 4.23Å; L108-W220 HydrophobicContact CD2-CH2 4.41Å; L108-W220 HydrophobicContact CD2-CZ3 4.26Å; A194-W220 VanDerWaalsContact O-CZ2 3.26Å; A194-W220 WeakPolarHBondContact O-CZ2 3.44Å; A194-W220 PolarHBondContact O-NE1 3.31Å; L197-W220 HydrophobicContact CB-CH2 3.62Å; L197-W220 HydrophobicContact CB-CZ2 3.64Å; L197-W220 HydrophobicContact CB-CZ3 4.41Å; L197-W220 HydrophobicContact CD1-CD2 4.23Å; L197-W220 HydrophobicContact CD1-CH2 4.28Å; L197-W220 HydrophobicContact CD1-CZ2 3.74Å; L197-W220 HydrophobicContact CG-CH2 4.41Å; L197-W220 HydrophobicContact CG-CZ2 3.96Å; V200-W220 HydrophobicContact CG1-CE3 4.42Å; V200-W220 HydrophobicContact CG2-CE3 4.5Å; V200-W220 HydrophobicContact CG2-CZ3 4.23Å; L204-W220 HydrophobicContact CD2-CB 3.76Å; L204-W220 HydrophobicContact CD2-CG 3.98Å; L216-W220 PolarHBondContact O-N 2.94Å; L216-W220 VanDerWaalsContact O-N 3.09Å; G217-W220 PolarHBondContact O-N 3.11Å; W220-R222 PolarHBondContact O-N 2.84Å; W220-L223 HydrophobicContact CE3-CD1 4.01Å; W220-L223 HydrophobicContact CZ3-CD1 3.98Å; W220-L223 PolarHBondContact O-N 3Å; W220-G224 PolarHBondContact O-N 2.92Å; W220-A225 HydrophobicContact CB-CB 4.16Å; W220-A225 VanDerWaalsContact O-CB 3.32Å; W220-A225 WeakPolarHBondContact O-CB 3.42Å; W220-A225 PolarHBondContact O-N 3.17Å
221	K	98.7	Very high	98.6	Very high	61 Å²	61	17.8 Å²	17.8	27%	0.265	10%	0.102	S	C	.	.	H	α-helix	trans	-60.3	-45.8	173.6	178.5	53.1	-174.4	152.7	0	111.8	G217 V219 L223 G224 A225 V227 Q256 G257 L258	G217-K221 VanDerWaalsContact O-CB 3.23Å; G217-K221 WeakPolarHBondContact O-CB 3.4Å; G217-K221 PolarHBondContact O-N 3.38Å; V219-K221 PolarHBondContact O-N 3.35Å; K221-L223 VanDerWaalsContact C-N 3.25Å; K221-L223 PolarHBondContact O-N 3.13Å; K221-G224 PolarHBondContact O-N 3.32Å; K221-G224 VanDerWaalsContact O-N 3.17Å; K221-A225 WeakPolarHBondContact CD-O 3.37Å; K221-V227 HydrophobicContact CB-CB 4.27Å; K221-V227 HydrophobicContact CB-CG2 3.68Å; K221-V227 HydrophobicContact CD-CG2 4.41Å; K221-Q256 WeakPolarHBondContact CE-O 3.4Å; K221-G257 WeakPolarHBondContact CE-O 3.31Å; K221-L258 HydrophobicContact CB-CD1 3.93Å; K221-L258 HydrophobicContact CB-CG 4.38Å; K221-L258 HydrophobicContact CG-CD1 3.78Å; K221-L258 HydrophobicContact CG-CG 4.41Å
222	R	98.5	Very high	98.5	Very high	16 Å²	16	20.7 Å²	20.7	6%	0.06	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-32.9	178.9	-71.7	168.8	-176.7	159.2	3.4	112.7	Y86 Q87 S218 V219 W220 G224 H383	Y86-R222 WeakPolarHBondContact CD1-O 3.34Å; Y86-R222 WeakPolarHBondContact CE1-O 3.37Å; Q87-R222 HydrophobicContact CB-CB 4.24Å; Q87-R222 HydrophobicContact CB-CG 4.08Å; Q87-R222 HydrophobicContact CG-CG 4.32Å; Q87-R222 VanDerWaalsContact OE1-CD 3.29Å; Q87-R222 VanDerWaalsContact OE1-CG 3.27Å; S218-R222 WeakPolarHBondContact O-CB 3.3Å; S218-R222 WeakPolarHBondContact O-CD 3.44Å; S218-R222 WeakPolarHBondContact O-CG 3.28Å; S218-R222 PolarHBondContact O-N 2.97Å; S218-R222 VanDerWaalsContact O-N 3.07Å; V219-R222 PolarHBondContact O-N 3.37Å; W220-R222 PolarHBondContact O-N 2.84Å; R222-G224 VanDerWaalsContact C-N 3.3Å; R222-H383 VanDerWaalsContact NH2-CB 3.26Å
223	L	98.5	Very high	98.4	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-81.4	-6.6	179.1	-60.9	-178.7	0	0	0	113.8	Y86 L106 L108 M111 V200 V219 W220 K221	Y86-L223 HydrophobicContact CD1-CD2 3.81Å; Y86-L223 HydrophobicContact CE1-CD2 4.42Å; Y86-L223 HydrophobicContact CG-CD2 4.14Å; L106-L223 HydrophobicContact CD1-CD2 3.84Å; L106-L223 HydrophobicContact CD2-CB 4.16Å; L106-L223 HydrophobicContact CD2-CD2 4.23Å; L108-L223 HydrophobicContact CD1-CD1 4.35Å; M111-L223 HydrophobicContact CE-CD2 3.87Å; M111-L223 HydrophobicContact SD-CD1 4.1Å; M111-L223 HydrophobicContact SD-CD2 4.09Å; V200-L223 HydrophobicContact CG1-CB 4.31Å; V200-L223 HydrophobicContact CG2-CB 3.98Å; V219-L223 HydrophobicContact CG1-CD1 4.18Å; V219-L223 WeakPolarHBondContact O-CG 3.41Å; V219-L223 PolarHBondContact O-N 2.75Å; W220-L223 HydrophobicContact CE3-CD1 4.01Å; W220-L223 HydrophobicContact CZ3-CD1 3.98Å; W220-L223 PolarHBondContact O-N 3Å; K221-L223 VanDerWaalsContact C-N 3.25Å; K221-L223 PolarHBondContact O-N 3.13Å
224	G	98	Very high	98.4	Very high	56 Å²	56	23.1 Å²	23.1	58%	0.577	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	122.3	-3.4	171.3	0	0	0	0	0	116	W220 K221 R222	W220-G224 PolarHBondContact O-N 2.92Å; K221-G224 PolarHBondContact O-N 3.32Å; K221-G224 VanDerWaalsContact O-N 3.17Å; R222-G224 VanDerWaalsContact C-N 3.3Å
225	A	98.7	Very high	98.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	14%	0.143	C	C	.	.			trans	-68.6	146	178.7	0	0	0	0	0	111.9	V200 P201 W220 K221 V227	V200-A225 HydrophobicContact CG1-CB 4.06Å; P201-A225 HydrophobicContact CB-CB 4.35Å; P201-A225 VanDerWaalsContact O-CA 3.3Å; P201-A225 WeakPolarHBondContact O-CA 3.42Å; P201-A225 WeakPolarHBondContact O-CB 3.22Å; W220-A225 HydrophobicContact CB-CB 4.16Å; W220-A225 VanDerWaalsContact O-CB 3.32Å; W220-A225 WeakPolarHBondContact O-CB 3.42Å; W220-A225 PolarHBondContact O-N 3.17Å; K221-A225 WeakPolarHBondContact CD-O 3.37Å; A225-V227 HydrophobicContact CB-CG2 4.05Å
226	E	98.8	Very high	98.3	Very high	78 Å²	78	24.8 Å²	24.8	36%	0.364	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	132.4	153.9	-179.1	170.5	173.2	0	0	108.5	Q202 H203 L204 K259	Q202-E226 WeakPolarHBondContact O-CB 3.47Å; Q202-E226 PolarHBondContact O-N 3.5Å; H203-E226 CarbonylContact C-O 3.55Å; H203-E226 WeakPolarHBondContact CA-O 3.48Å; H203-E226 HydrophobicContact CB-CB 4.27Å; H203-E226 PolarHBondContact CD2-O 3.4Å; L204-E226 PolarHBondContact N-O 2.77Å; E226-K259 IonicContact OE1-NZ 2.72Å; E226-K259 PolarHBondContact OE1-NZ 2.97Å
227	V	98.9	Very high	98.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.7	-177.8	-177.4	0	0	0	0	110.5	L204 V206 K221 A225 L258 K259	L204-V227 HydrophobicContact CB-CG2 4.29Å; L204-V227 HydrophobicContact CD2-CG2 4.42Å; L204-V227 WeakPolarHBondContact O-CA 3.43Å; V206-V227 HydrophobicContact CG2-CG1 4.08Å; K221-V227 HydrophobicContact CB-CB 4.27Å; K221-V227 HydrophobicContact CB-CG2 3.68Å; K221-V227 HydrophobicContact CD-CG2 4.41Å; A225-V227 HydrophobicContact CB-CG2 4.05Å; V227-L258 HydrophobicContact CG1-CG 4.49Å; V227-K259 PolarHBondContact O-N 2.72Å
228	T	98.8	Very high	98.1	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.037	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	113	173.6	-57.2	0	0	0	0	110.3	H203 L204 I205 V206 K259 L261	H203-T228 PolarHBondContact NE2-OG1 2.86Å; H203-T228 VanDerWaalsContact NE2-OG1 3.15Å; L204-T228 PolarHBondContact O-N 3.32Å; I205-T228 WeakPolarHBondContact CA-O 3.44Å; V206-T228 PolarHBondContact N-O 2.95Å; T228-K259 CarbonylContact C-O 3.57Å; T228-K259 WeakPolarHBondContact CA-O 3.45Å; T228-K259 HydrophobicContact CG2-CB 4.24Å; T228-L261 HydrophobicContact CG2-CD1 3.92Å; T228-L261 HydrophobicContact CG2-CG 4.02Å
229	C	98.7	Very high	97.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.5	174.7	-59	0	0	0	0	109.8	V206 A209 K259 F260 L261	V206-C229 HydrophobicContact CB-CB 4.46Å; V206-C229 CarbonylContact O-C 3.56Å; V206-C229 WeakPolarHBondContact O-CA 3.2Å; A209-C229 HydrophobicContact CB-CB 4.3Å; C229-K259 PolarHBondContact N-O 3.07Å; C229-F260 HydrophobicContact CB-CD1 3.66Å; C229-F260 HydrophobicContact CB-CE1 3.81Å; C229-F260 CarbonylContact O-C 3.18Å; C229-F260 WeakPolarHBondContact O-CA 3.37Å; C229-L261 PolarHBondContact O-N 2.68Å
230	V	98.5	Very high	97.8	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.2	176	-176	0	0	0	0	108.4	I205 V206 G208 L261 T264 V266 L280	I205-V230 HydrophobicContact CG2-CG2 4.04Å; V206-V230 PolarHBondContact O-N 3.27Å; G208-V230 PolarHBondContact N-O 3.45Å; V230-L261 HydrophobicContact CG2-CB 4.42Å; V230-L261 HydrophobicContact CG2-CD1 4.3Å; V230-T264 HydrophobicContact CG1-CG2 3.82Å; V230-V266 HydrophobicContact CB-CG2 4.4Å; V230-V266 HydrophobicContact CG1-CG2 3.82Å; V230-L280 HydrophobicContact CG1-CD1 4.46Å; V230-L280 HydrophobicContact CG1-CD2 3.79Å; V230-L280 HydrophobicContact CG2-CD1 4.06Å; V230-L280 HydrophobicContact CG2-CD2 4.25Å
231	E	98.1	Very high	97.8	Very high	25 Å²	25	35.2 Å²	35.2	12%	0.117	21%	0.206	C	C	.	.			trans	-136	133	-175.7	177.9	52.4	-105.5	0	0	111	G208 A209 L233 L261 L262 N263 T264	G208-E231 WeakPolarHBondContact CA-OE2 3.47Å; A209-E231 HydrophobicContact CB-CB 3.71Å; A209-E231 HydrophobicContact CB-CG 4Å; A209-E231 PolarHBondContact N-OE2 3.45Å; E231-L233 HydrophobicContact CG-CB 3.96Å; E231-L233 PolarHBondContact OE1-N 3.11Å; E231-L261 PolarHBondContact N-O 2.77Å; E231-L262 HydrophobicContact CB-CD2 3.79Å; E231-L262 HydrophobicContact CG-CD2 4.24Å; E231-L262 CarbonylContact O-C 3.51Å; E231-L262 WeakPolarHBondContact O-CA 3.47Å; E231-N263 PolarHBondContact O-N 3.39Å; E231-T264 CarbonylContact C-O 3.56Å; E231-T264 VanDerWaalsContact C-O 3.29Å; E231-T264 PolarHBondContact O-N 2.87Å
232	F	97.1	Very high	97.8	Very high	110 Å²	110	32.3 Å²	32.3	48%	0.482	19%	0.193	S	C	.	.	S	Bend	trans	-70	-38.5	176.7	178.2	-94.3	0	0	0	111	N263 T264 K265 V283	F232-N263 WeakPolarHBondContact O-CA 3.49Å; F232-T264 WeakPolarHBondContact CA-O 3.36Å; F232-T264 PolarHBondContact N-O 3.47Å; F232-K265 HydrophobicContact CD2-CB 4.17Å; F232-K265 HydrophobicContact CD2-CG 4.43Å; F232-V283 HydrophobicContact CD2-CG2 3.6Å; F232-V283 HydrophobicContact CE2-CG1 4.14Å; F232-V283 HydrophobicContact CE2-CG2 3.61Å; F232-V283 HydrophobicContact CG-CG2 4.45Å; F232-V283 HydrophobicContact CZ-CG1 4.28Å; F232-V283 HydrophobicContact CZ-CG2 4.45Å
233	L	96.2	Very high	97.8	Very high	69 Å²	69	34.5 Å²	34.5	36%	0.361	21%	0.205	S	C	.	.	S	Bend	trans	-70.9	164.9	177	-59.7	178.6	0	0	0	112.6	E231 H235 N263	E231-L233 HydrophobicContact CG-CB 3.96Å; E231-L233 PolarHBondContact OE1-N 3.11Å; L233-H235 VanDerWaalsContact C-N 3.3Å; L233-H235 PolarHBondContact O-N 3.41Å; L233-N263 PolarHBondContact O-N 2.93Å
234	G	97.1	Very high	97.8	Very high	42 Å²	42	36.6 Å²	36.6	43%	0.433	21%	0.214	S	C	.	.	S	Bend	trans	-85.2	5.2	-179.6	0	0	0	0	0	115
235	H	98.2	Very high	97.8	Very high	41 Å²	41	34 Å²	34	19%	0.19	19%	0.187	C	C	.	.	S	Bend	trans	-151.5	165.2	-172.1	70.6	-85.3	0	0	0	111.7	L233 G238 M243	L233-H235 VanDerWaalsContact C-N 3.3Å; L233-H235 PolarHBondContact O-N 3.41Å; H235-G238 PolarHBondContact NE2-O 2.88Å; H235-M243 HydrophobicContact CB-CE 4.48Å; H235-M243 HydrophobicContact CB-SD 3.99Å
236	V	98.2	Very high	97.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-108.1	163.2	-179.4	-55.5	0	0	0	0	111.8	A209 S246 F249 Q250 F260 L262	A209-V236 HydrophobicContact CB-CB 4.34Å; A209-V236 HydrophobicContact CB-CG1 4Å; V236-S246 PolarHBondContact N-OG 3.38Å; V236-S246 VanDerWaalsContact N-OG 3.14Å; V236-S246 PolarHBondContact O-OG 3.02Å; V236-F249 HydrophobicContact CG2-CD1 3.96Å; V236-Q250 HydrophobicContact CG1-CB 4.35Å; V236-Q250 HydrophobicContact CG1-CG 4.12Å; V236-Q250 HydrophobicContact CG2-CB 3.74Å; V236-Q250 HydrophobicContact CG2-CG 4.42Å; V236-F260 HydrophobicContact CB-CE1 4.46Å; V236-F260 HydrophobicContact CG1-CD1 3.6Å; V236-F260 HydrophobicContact CG1-CE1 3.61Å; V236-F260 HydrophobicContact CG1-CG 4.37Å; V236-F260 HydrophobicContact CG1-CZ 4.38Å; V236-L262 HydrophobicContact CG1-CD1 4.48Å; V236-L262 HydrophobicContact CG1-CD2 3.84Å
237	G	97.3	Very high	97.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	94.6	-4.3	174.5	0	0	0	0	0	114.6	A209 V211	A209-G237 PolarHBondContact O-N 2.9Å; V211-G237 WeakPolarHBondContact CG2-O 3.48Å
238	G	95.4	Very high	97.8	Very high	18 Å²	18	40 Å²	40	19%	0.186	21%	0.214	C	C	.	.			trans	90.4	-162.4	174.4	0	0	0	0	0	114.1	H235 I241	H235-G238 PolarHBondContact NE2-O 2.88Å; G238-I241 WeakPolarHBondContact O-CG2 3.36Å
239	M	95.2	Very high	97.8	Very high	176 Å²	176	39.7 Å²	39.7	87%	0.867	21%	0.212	S	C	*	.	S	Bend	trans	-80.2	142.1	179.9	-65.3	-179.7	66.8	0	0	110.9
240	G	95.8	Very high	97.8	Very high	30 Å²	30	41.9 Å²	41.9	31%	0.309	22%	0.223	S	C	.	.	S	Bend	trans	94.8	-22.6	173.3	0	0	0	0	0	115.3	N392	G240-N392 PolarHBondContact O-ND2 3.34Å
241	I	98.5	Very high	97.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.254	C	S	.	.			trans	-59.2	141	173.6	-166.9	170	0	0	0	111.3	G238 M243 I245 I380 W388	G238-I241 WeakPolarHBondContact O-CG2 3.36Å; I241-M243 HydrophobicContact CG2-CE 3.96Å; I241-M243 WeakPolarHBondContact O-CE 2.94Å; I241-I245 HydrophobicContact CD1-CG2 4.28Å; I241-I245 HydrophobicContact CG1-CG2 4.25Å; I241-I380 HydrophobicContact CD1-CD1 4.43Å; I241-W388 HydrophobicContact CB-CH2 4.17Å; I241-W388 HydrophobicContact CB-CZ2 4.34Å; I241-W388 HydrophobicContact CB-CZ3 4.28Å; I241-W388 HydrophobicContact CD1-CZ3 4.39Å; I241-W388 HydrophobicContact CG1-CE3 4.36Å; I241-W388 HydrophobicContact CG1-CZ3 4.25Å
242	D	98.8	Very high	97.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.			trans	-67	135.8	171.9	177.6	-81.9	0	0	0	111.4	E244 I245 S246 N392 E393 K427 H441	D242-E244 VanDerWaalsContact C-N 3.31Å; D242-E244 PolarHBondContact O-N 3.16Å; D242-E244 WeakPolarHBondContact OD1-CB 3.45Å; D242-E244 PolarHBondContact OD1-N 3.49Å; D242-I245 HydrophobicContact CB-CB 4.21Å; D242-I245 HydrophobicContact CB-CG1 4.04Å; D242-I245 WeakPolarHBondContact O-CB 3.43Å; D242-I245 PolarHBondContact O-N 3.42Å; D242-I245 VanDerWaalsContact O-N 3.14Å; D242-I245 PolarHBondContact OD1-N 3.17Å; D242-S246 PolarHBondContact O-N 3.29Å; D242-N392 HydrophobicContact CB-CB 3.93Å; D242-E393 VanDerWaalsContact OD2-CB 3.29Å; D242-E393 WeakPolarHBondContact OD2-CB 3.49Å; D242-E393 PolarHBondContact OD2-N 3Å; D242-K427 IonicContact OD1-NZ 2.68Å; D242-K427 PolarHBondContact OD1-NZ 2.93Å; D242-K427 WeakPolarHBondContact OD2-CE 3.45Å; D242-K427 IonicContact OD2-NZ 2.72Å; D242-K427 PolarHBondContact OD2-NZ 2.89Å; D242-H441 HydrophobicContact CB-CB 4.33Å
243	M	98.6	Very high	97.9	Very high	62 Å²	62	43.5 Å²	43.5	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-67.3	-28.2	-171.3	-68.3	-61.4	99.4	0	0	114.1	H235 I241 K247 E394	H235-M243 HydrophobicContact CB-CE 4.48Å; H235-M243 HydrophobicContact CB-SD 3.99Å; I241-M243 HydrophobicContact CG2-CE 3.96Å; I241-M243 WeakPolarHBondContact O-CE 2.94Å; M243-K247 WeakPolarHBondContact O-CB 3.47Å; M243-K247 PolarHBondContact O-N 3.16Å; M243-E394 HydrophobicContact CB-CG 4.48Å; M243-E394 WeakPolarHBondContact CB-OE1 3.47Å; M243-E394 HydrophobicContact CG-CG 3.69Å; M243-E394 WeakPolarHBondContact CG-OE2 3.45Å; M243-E394 PolarHBondContact N-OE2 3.21Å; M243-E394 VanDerWaalsContact N-OE2 3.1Å
244	E	98.6	Very high	98	Very high	52 Å²	52	43.4 Å²	43.4	24%	0.243	23%	0.231	C	C	.	.	H	α-helix	trans	-71.4	-40.3	173.8	179.3	176.9	-156.5	0	0	111	D242 K247 N248 K407 K427	D242-E244 VanDerWaalsContact C-N 3.31Å; D242-E244 PolarHBondContact O-N 3.16Å; D242-E244 WeakPolarHBondContact OD1-CB 3.45Å; D242-E244 PolarHBondContact OD1-N 3.49Å; E244-K247 PolarHBondContact O-N 3.47Å; E244-N248 PolarHBondContact O-N 2.91Å; E244-N248 PolarHBondContact O-ND2 3.45Å; E244-K407 WeakPolarHBondContact OE1-CE 3.04Å; E244-K407 IonicContact OE1-NZ 3.44Å; E244-K407 PolarHBondContact OE1-NZ 3.31Å; E244-K407 WeakPolarHBondContact OE2-CE 3.45Å; E244-K407 IonicContact OE2-NZ 3.94Å; E244-K407 PolarHBondContact OE2-NZ 3.47Å; E244-K427 IonicContact OE2-NZ 2.75Å; E244-K427 PolarHBondContact OE2-NZ 2.92Å
245	I	98.7	Very high	98	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-47.4	175.2	-63.3	-61.1	0	0	0	110.4	I241 D242 K247 N248 F249 C386 L425 K427 H441 L443	I241-I245 HydrophobicContact CD1-CG2 4.28Å; I241-I245 HydrophobicContact CG1-CG2 4.25Å; D242-I245 HydrophobicContact CB-CB 4.21Å; D242-I245 HydrophobicContact CB-CG1 4.04Å; D242-I245 WeakPolarHBondContact O-CB 3.43Å; D242-I245 PolarHBondContact O-N 3.42Å; D242-I245 VanDerWaalsContact O-N 3.14Å; D242-I245 PolarHBondContact OD1-N 3.17Å; I245-K247 VanDerWaalsContact C-N 3.33Å; I245-K247 PolarHBondContact O-N 3.29Å; I245-N248 PolarHBondContact O-N 3.23Å; I245-F249 WeakPolarHBondContact O-CB 3.08Å; I245-F249 PolarHBondContact O-N 3.31Å; I245-C386 WeakPolarHBondContact CG2-SG 3.18Å; I245-L425 HydrophobicContact CD1-CD1 3.67Å; I245-L425 HydrophobicContact CD1-CG 4.21Å; I245-K427 HydrophobicContact CD1-CB 4.33Å; I245-H441 HydrophobicContact CD1-CB 4.31Å; I245-H441 HydrophobicContact CG1-CB 3.71Å; I245-L443 HydrophobicContact CD1-CB 4.28Å; I245-L443 HydrophobicContact CG2-CB 4.16Å
246	S	98.8	Very high	98	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.007	25%	0.246	C	C	.	.	H	α-helix	trans	-55.9	-45.1	175.8	-178.6	0	0	0	0	112.3	V236 D242 F249 Q250	V236-S246 PolarHBondContact N-OG 3.38Å; V236-S246 VanDerWaalsContact N-OG 3.14Å; V236-S246 PolarHBondContact O-OG 3.02Å; D242-S246 PolarHBondContact O-N 3.29Å; S246-F249 PolarHBondContact O-N 3.44Å; S246-Q250 WeakPolarHBondContact O-CB 3.46Å; S246-Q250 PolarHBondContact O-N 2.64Å
247	K	98.6	Very high	98	Very high	155 Å²	155	50.8 Å²	50.8	67%	0.674	26%	0.26	S	S	*	.	H	α-helix	trans	-62.8	-46.6	178	-179.6	-178.2	176.6	-177.3	0	112.6	M243 E244 I245 F249 K251	M243-K247 WeakPolarHBondContact O-CB 3.47Å; M243-K247 PolarHBondContact O-N 3.16Å; E244-K247 PolarHBondContact O-N 3.47Å; I245-K247 VanDerWaalsContact C-N 3.33Å; I245-K247 PolarHBondContact O-N 3.29Å; K247-F249 VanDerWaalsContact C-N 3.34Å; K247-K251 PolarHBondContact O-N 3.34Å; K247-K251 VanDerWaalsContact O-N 3.12Å
248	N	98.6	Very high	98	Very high	47 Å²	47	50.9 Å²	50.9	25%	0.251	26%	0.261	S	S	.	.	H	α-helix	trans	-67.2	-39.1	178.3	-76.6	-66.1	0	0	0	111.3	E244 I245 K251 I252 L443	E244-N248 PolarHBondContact O-N 2.91Å; E244-N248 PolarHBondContact O-ND2 3.45Å; I245-N248 PolarHBondContact O-N 3.23Å; N248-K251 WeakPolarHBondContact O-CB 3.38Å; N248-K251 PolarHBondContact O-N 2.92Å; N248-I252 WeakPolarHBondContact O-CD1 3.27Å; N248-I252 WeakPolarHBondContact O-CG1 3.23Å; N248-I252 PolarHBondContact O-N 2.95Å; N248-L443 HydrophobicContact CB-CD2 3.65Å
249	F	98.7	Very high	98.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-48.9	176.2	-179.4	-137	0	0	0	111.8	V214 V236 I245 S246 K247 K251 I252 L253 I380 T382 L443	V214-F249 HydrophobicContact CG2-CE1 4.08Å; V214-F249 HydrophobicContact CG2-CZ 4.18Å; V236-F249 HydrophobicContact CG2-CD1 3.96Å; I245-F249 WeakPolarHBondContact O-CB 3.08Å; I245-F249 PolarHBondContact O-N 3.31Å; S246-F249 PolarHBondContact O-N 3.44Å; K247-F249 VanDerWaalsContact C-N 3.34Å; F249-K251 VanDerWaalsContact C-N 3.3Å; F249-K251 PolarHBondContact O-N 2.97Å; F249-I252 PolarHBondContact O-N 2.95Å; F249-L253 HydrophobicContact CD1-CD1 4.42Å; F249-L253 HydrophobicContact CD2-CD1 4.17Å; F249-L253 HydrophobicContact CD2-CG 4.04Å; F249-L253 HydrophobicContact CE1-CD1 3.91Å; F249-L253 HydrophobicContact CE2-CD1 3.61Å; F249-L253 HydrophobicContact CE2-CD2 3.9Å; F249-L253 HydrophobicContact CE2-CG 3.69Å; F249-L253 HydrophobicContact CZ-CD1 3.48Å; F249-L253 VanDerWaalsContact CZ-CD1 3.48Å; F249-L253 HydrophobicContact CZ-CD2 4.43Å; F249-L253 HydrophobicContact CZ-CG 4.12Å; F249-L253 WeakPolarHBondContact O-CG 3.03Å; F249-L253 PolarHBondContact O-N 3.22Å; F249-I380 HydrophobicContact CE1-CD1 3.94Å; F249-I380 HydrophobicContact CE1-CG2 4.27Å; F249-I380 HydrophobicContact CZ-CG2 3.95Å; F249-T382 HydrophobicContact CE2-CG2 4.23Å; F249-T382 WeakPolarHBondContact CE2-OG1 3.44Å; F249-T382 HydrophobicContact CZ-CG2 3.85Å; F249-T382 WeakPolarHBondContact CZ-OG1 3.33Å; F249-L443 HydrophobicContact CB-CD1 4.04Å; F249-L443 HydrophobicContact CB-CD2 4.12Å; F249-L443 HydrophobicContact CD2-CD1 3.77Å; F249-L443 HydrophobicContact CG-CD1 4.22Å
250	Q	98.7	Very high	98.4	Very high	47 Å²	47	48.1 Å²	48.1	22%	0.22	24%	0.239	C	C	.	.	H	α-helix	trans	-55.8	-44.8	173.9	-173.3	-171.3	-7.1	0	0	111.9	V236 S246 I252 L253 T254 F260	V236-Q250 HydrophobicContact CG1-CB 4.35Å; V236-Q250 HydrophobicContact CG1-CG 4.12Å; V236-Q250 HydrophobicContact CG2-CB 3.74Å; V236-Q250 HydrophobicContact CG2-CG 4.42Å; S246-Q250 WeakPolarHBondContact O-CB 3.46Å; S246-Q250 PolarHBondContact O-N 2.64Å; Q250-I252 VanDerWaalsContact C-N 3.32Å; Q250-I252 PolarHBondContact O-N 3.14Å; Q250-L253 PolarHBondContact O-N 3.07Å; Q250-T254 WeakPolarHBondContact O-CB 3.47Å; Q250-T254 PolarHBondContact O-N 3.12Å; Q250-T254 PolarHBondContact O-OG1 3.44Å; Q250-F260 HydrophobicContact CG-CD2 3.89Å; Q250-F260 HydrophobicContact CG-CE2 4.17Å; Q250-F260 HydrophobicContact CG-CG 4.18Å
251	K	98.6	Very high	98.5	Very high	156 Å²	156	48.8 Å²	48.8	68%	0.678	24%	0.235	S	C	*	.	H	α-helix	trans	-59.4	-43.8	179.9	-177.5	-176.1	175.7	-172.6	0	111.4	K247 N248 F249 T254 K255	K247-K251 PolarHBondContact O-N 3.34Å; K247-K251 VanDerWaalsContact O-N 3.12Å; N248-K251 WeakPolarHBondContact O-CB 3.38Å; N248-K251 PolarHBondContact O-N 2.92Å; F249-K251 VanDerWaalsContact C-N 3.3Å; F249-K251 PolarHBondContact O-N 2.97Å; K251-T254 PolarHBondContact O-N 3.05Å; K251-K255 PolarHBondContact O-N 2.89Å
252	I	98.5	Very high	98.4	Very high	15 Å²	15	50.1 Å²	50.1	8%	0.077	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-48.6	178.9	-64.9	160.2	0	0	0	110.5	N248 F249 Q250 T254 K255 Q256 P384 D423 L443	N248-I252 WeakPolarHBondContact O-CD1 3.27Å; N248-I252 WeakPolarHBondContact O-CG1 3.23Å; N248-I252 PolarHBondContact O-N 2.95Å; F249-I252 PolarHBondContact O-N 2.95Å; Q250-I252 VanDerWaalsContact C-N 3.32Å; Q250-I252 PolarHBondContact O-N 3.14Å; I252-T254 VanDerWaalsContact C-N 3.27Å; I252-T254 PolarHBondContact O-N 3.3Å; I252-K255 WeakPolarHBondContact O-CB 3.42Å; I252-K255 PolarHBondContact O-N 3.48Å; I252-K255 VanDerWaalsContact O-N 3.09Å; I252-Q256 WeakPolarHBondContact O-CG 3.42Å; I252-Q256 PolarHBondContact O-N 3.17Å; I252-P384 HydrophobicContact CD1-CG 4.06Å; I252-P384 HydrophobicContact CG2-CG 4.11Å; I252-D423 HydrophobicContact CD1-CB 4.05Å; I252-D423 HydrophobicContact CG1-CB 4.37Å; I252-D423 HydrophobicContact CG2-CB 4.31Å; I252-L443 HydrophobicContact CD1-CD2 3.93Å; I252-L443 HydrophobicContact CD1-CG 4.32Å
253	L	98.6	Very high	98.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-34.9	177.4	-66.5	-173.9	0	0	0	112.6	V214 F249 Q250 Q256 G257 L258 F260 T382	V214-L253 HydrophobicContact CB-CD1 4.14Å; V214-L253 HydrophobicContact CG1-CD1 4.33Å; F249-L253 HydrophobicContact CD1-CD1 4.42Å; F249-L253 HydrophobicContact CD2-CD1 4.17Å; F249-L253 HydrophobicContact CD2-CG 4.04Å; F249-L253 HydrophobicContact CE1-CD1 3.91Å; F249-L253 HydrophobicContact CE2-CD1 3.61Å; F249-L253 HydrophobicContact CE2-CD2 3.9Å; F249-L253 HydrophobicContact CE2-CG 3.69Å; F249-L253 HydrophobicContact CZ-CD1 3.48Å; F249-L253 VanDerWaalsContact CZ-CD1 3.48Å; F249-L253 HydrophobicContact CZ-CD2 4.43Å; F249-L253 HydrophobicContact CZ-CG 4.12Å; F249-L253 WeakPolarHBondContact O-CG 3.03Å; F249-L253 PolarHBondContact O-N 3.22Å; Q250-L253 PolarHBondContact O-N 3.07Å; L253-Q256 CarbonylContact O-C 3.55Å; L253-Q256 WeakPolarHBondContact O-CB 3.36Å; L253-Q256 PolarHBondContact O-N 3.25Å; L253-G257 PolarHBondContact O-N 3.27Å; L253-L258 PolarHBondContact O-N 3.26Å; L253-L258 VanDerWaalsContact O-N 3.12Å; L253-F260 HydrophobicContact CB-CE2 3.87Å; L253-F260 HydrophobicContact CB-CZ 3.96Å; L253-F260 HydrophobicContact CD1-CZ 3.97Å; L253-T382 HydrophobicContact CD2-CG2 4.35Å
254	T	98.6	Very high	98.4	Very high	66 Å²	66	49.9 Å²	49.9	41%	0.405	24%	0.242	S	C	.	.	H	α-helix	trans	-65.3	-40.5	174.5	-54.4	0	0	0	0	111.4	Q250 K251 I252 Q256 G257 L258 F260	Q250-T254 WeakPolarHBondContact O-CB 3.47Å; Q250-T254 PolarHBondContact O-N 3.12Å; Q250-T254 PolarHBondContact O-OG1 3.44Å; K251-T254 PolarHBondContact O-N 3.05Å; I252-T254 VanDerWaalsContact C-N 3.27Å; I252-T254 PolarHBondContact O-N 3.3Å; T254-Q256 PolarHBondContact O-N 3.48Å; T254-G257 WeakPolarHBondContact O-CA 3.27Å; T254-G257 PolarHBondContact O-N 2.9Å; T254-L258 WeakPolarHBondContact CA-O 3.49Å; T254-F260 WeakPolarHBondContact OG1-CD2 3.27Å
255	K	97.8	Very high	98.3	Very high	166 Å²	166	52 Å²	52	72%	0.722	25%	0.251	S	S	*	.	H	α-helix	trans	-62.8	-30.8	173.8	-175.6	-174.8	171.5	-162.7	0	112.1	K251 I252 G257	K251-K255 PolarHBondContact O-N 2.89Å; I252-K255 WeakPolarHBondContact O-CB 3.42Å; I252-K255 PolarHBondContact O-N 3.48Å; I252-K255 VanDerWaalsContact O-N 3.09Å; K255-G257 PolarHBondContact O-N 3.01Å
256	Q	97.1	Very high	98.2	Very high	43 Å²	43	52.3 Å²	52.3	20%	0.201	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-2.9	172	-63.1	175.7	10.2	0	0	113.3	K221 I252 L253 T254 H383	K221-Q256 WeakPolarHBondContact CE-O 3.4Å; I252-Q256 WeakPolarHBondContact O-CG 3.42Å; I252-Q256 PolarHBondContact O-N 3.17Å; L253-Q256 CarbonylContact O-C 3.55Å; L253-Q256 WeakPolarHBondContact O-CB 3.36Å; L253-Q256 PolarHBondContact O-N 3.25Å; T254-Q256 PolarHBondContact O-N 3.48Å; Q256-H383 PolarHBondContact NE2-O 2.97Å; Q256-H383 PolarHBondContact OE1-O 3.37Å
257	G	98.1	Very high	98.1	Very high	30 Å²	30	55.9 Å²	55.9	31%	0.309	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	10.8	172.6	0	0	0	0	0	115.3	K221 L253 T254 K255	K221-G257 WeakPolarHBondContact CE-O 3.31Å; L253-G257 PolarHBondContact O-N 3.27Å; T254-G257 WeakPolarHBondContact O-CA 3.27Å; T254-G257 PolarHBondContact O-N 2.9Å; K255-G257 PolarHBondContact O-N 3.01Å
258	L	98.6	Very high	98	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	134	164.8	-78.5	82.1	0	0	0	109	K221 V227 L253 T254 F260	K221-L258 HydrophobicContact CB-CD1 3.93Å; K221-L258 HydrophobicContact CB-CG 4.38Å; K221-L258 HydrophobicContact CG-CD1 3.78Å; K221-L258 HydrophobicContact CG-CG 4.41Å; V227-L258 HydrophobicContact CG1-CG 4.49Å; L253-L258 PolarHBondContact O-N 3.26Å; L253-L258 VanDerWaalsContact O-N 3.12Å; T254-L258 WeakPolarHBondContact CA-O 3.49Å; L258-F260 HydrophobicContact CB-CE2 3.77Å; L258-F260 HydrophobicContact CB-CZ 4.06Å; L258-F260 HydrophobicContact CD2-CZ 4.11Å
259	K	98.7	Very high	97.9	Very high	107 Å²	107	49.6 Å²	49.6	47%	0.465	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141.9	172.1	-62.3	177.2	-177.9	174.4	0	109.5	E226 V227 T228 C229	E226-K259 IonicContact OE1-NZ 2.72Å; E226-K259 PolarHBondContact OE1-NZ 2.97Å; V227-K259 PolarHBondContact O-N 2.72Å; T228-K259 CarbonylContact C-O 3.57Å; T228-K259 WeakPolarHBondContact CA-O 3.45Å; T228-K259 HydrophobicContact CG2-CB 4.24Å; C229-K259 PolarHBondContact N-O 3.07Å
260	F	98.6	Very high	97.8	Very high	28 Å²	28	52.7 Å²	52.7	12%	0.123	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.4	178.3	-67.3	-85.4	0	0	0	111	A209 V214 C229 V236 Q250 L253 T254 L258 L262	A209-F260 HydrophobicContact CB-CD1 4.38Å; A209-F260 HydrophobicContact CB-CE1 4.35Å; V214-F260 HydrophobicContact CG1-CE1 4.31Å; C229-F260 HydrophobicContact CB-CD1 3.66Å; C229-F260 HydrophobicContact CB-CE1 3.81Å; C229-F260 CarbonylContact O-C 3.18Å; C229-F260 WeakPolarHBondContact O-CA 3.37Å; V236-F260 HydrophobicContact CB-CE1 4.46Å; V236-F260 HydrophobicContact CG1-CD1 3.6Å; V236-F260 HydrophobicContact CG1-CE1 3.61Å; V236-F260 HydrophobicContact CG1-CG 4.37Å; V236-F260 HydrophobicContact CG1-CZ 4.38Å; Q250-F260 HydrophobicContact CG-CD2 3.89Å; Q250-F260 HydrophobicContact CG-CE2 4.17Å; Q250-F260 HydrophobicContact CG-CG 4.18Å; L253-F260 HydrophobicContact CB-CE2 3.87Å; L253-F260 HydrophobicContact CB-CZ 3.96Å; L253-F260 HydrophobicContact CD1-CZ 3.97Å; T254-F260 WeakPolarHBondContact OG1-CD2 3.27Å; L258-F260 HydrophobicContact CB-CE2 3.77Å; L258-F260 HydrophobicContact CB-CZ 4.06Å; L258-F260 HydrophobicContact CD2-CZ 4.11Å; F260-L262 HydrophobicContact CB-CD2 4.19Å; F260-L262 HydrophobicContact CB-CG 4.29Å; F260-L262 HydrophobicContact CD1-CD2 4.38Å
261	L	98.1	Very high	97.6	Very high	44 Å²	44	55.5 Å²	55.5	23%	0.23	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	84.3	168.2	-59.4	-179.3	0	0	0	107.9	T228 C229 V230 E231 T264 L280 I291	T228-L261 HydrophobicContact CG2-CD1 3.92Å; T228-L261 HydrophobicContact CG2-CG 4.02Å; C229-L261 PolarHBondContact O-N 2.68Å; V230-L261 HydrophobicContact CG2-CB 4.42Å; V230-L261 HydrophobicContact CG2-CD1 4.3Å; E231-L261 PolarHBondContact N-O 2.77Å; L261-T264 HydrophobicContact CB-CG2 4.45Å; L261-T264 WeakPolarHBondContact O-CB 3.2Å; L261-T264 PolarHBondContact O-OG1 2.81Å; L261-L280 HydrophobicContact CD1-CD1 3.78Å; L261-I291 HydrophobicContact CD1-CD1 3.4Å
262	L	97.9	Very high	97.4	Very high	30 Å²	30	52.6 Å²	52.6	16%	0.157	29%	0.285	C	S	.	.			trans	-81.2	163.4	176.9	-53.9	-172.6	0	0	0	110.8	E231 V236 F260 T264	E231-L262 HydrophobicContact CB-CD2 3.79Å; E231-L262 HydrophobicContact CG-CD2 4.24Å; E231-L262 CarbonylContact O-C 3.51Å; E231-L262 WeakPolarHBondContact O-CA 3.47Å; V236-L262 HydrophobicContact CG1-CD1 4.48Å; V236-L262 HydrophobicContact CG1-CD2 3.84Å; F260-L262 HydrophobicContact CB-CD2 4.19Å; F260-L262 HydrophobicContact CB-CG 4.29Å; F260-L262 HydrophobicContact CD1-CD2 4.38Å; L262-T264 PolarHBondContact O-N 2.71Å; L262-T264 PolarHBondContact O-OG1 3.22Å; L262-T264 VanDerWaalsContact O-OG1 3.06Å
263	N	97.9	Very high	97.2	Very high	45 Å²	45	54.7 Å²	54.7	24%	0.241	31%	0.309	C	S	.	.	S	Bend	trans	49.3	40.6	-174	-51	-91.1	0	0	0	111.4	E231 F232 L233 V283 K284	E231-N263 PolarHBondContact O-N 3.39Å; F232-N263 WeakPolarHBondContact O-CA 3.49Å; L233-N263 PolarHBondContact O-N 2.93Å; N263-V283 VanDerWaalsContact C-CG2 3.45Å; N263-V283 HydrophobicContact CB-CB 4.31Å; N263-V283 VanDerWaalsContact O-CB 3.31Å; N263-V283 WeakPolarHBondContact O-CB 3.23Å; N263-V283 WeakPolarHBondContact O-CG2 3.15Å; N263-V283 PolarHBondContact O-N 3.27Å; N263-K284 HydrophobicContact CB-CD 4.45Å; N263-K284 HydrophobicContact CB-CG 4.38Å; N263-K284 VanDerWaalsContact OD1-CE 3.26Å; N263-K284 WeakPolarHBondContact OD1-CE 3.44Å
264	T	98.2	Very high	97	Very high	11 Å²	11	61.2 Å²	61.2	7%	0.067	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124	-176	-57.9	0	0	0	0	109.5	V230 E231 F232 L261 L262 L280 E281	V230-T264 HydrophobicContact CG1-CG2 3.82Å; E231-T264 CarbonylContact C-O 3.56Å; E231-T264 VanDerWaalsContact C-O 3.29Å; E231-T264 PolarHBondContact O-N 2.87Å; F232-T264 WeakPolarHBondContact CA-O 3.36Å; F232-T264 PolarHBondContact N-O 3.47Å; L261-T264 HydrophobicContact CB-CG2 4.45Å; L261-T264 WeakPolarHBondContact O-CB 3.2Å; L261-T264 PolarHBondContact O-OG1 2.81Å; L262-T264 PolarHBondContact O-N 2.71Å; L262-T264 PolarHBondContact O-OG1 3.22Å; L262-T264 VanDerWaalsContact O-OG1 3.06Å; T264-L280 HydrophobicContact CG2-CB 3.85Å; T264-L280 HydrophobicContact CG2-CD1 4.21Å; T264-L280 HydrophobicContact CG2-CD2 4.37Å; T264-L280 HydrophobicContact CG2-CG 4.39Å; T264-E281 CarbonylContact C-O 3.54Å; T264-E281 WeakPolarHBondContact CA-O 3.3Å
265	K	96.5	Very high	96.9	Very high	98 Å²	98	61 Å²	61	43%	0.426	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.9	178	-176.5	-179.8	179.4	-172.5	0	109.6	F232 L267 L280 E281 V283	F232-K265 HydrophobicContact CD2-CB 4.17Å; F232-K265 HydrophobicContact CD2-CG 4.43Å; K265-L267 HydrophobicContact CD-CD2 4.16Å; K265-L267 HydrophobicContact CG-CD2 4.38Å; K265-L280 CarbonylContact O-C 3.31Å; K265-L280 WeakPolarHBondContact O-CA 3.06Å; K265-E281 PolarHBondContact N-O 3.39Å; K265-E281 PolarHBondContact O-N 3.46Å; K265-V283 HydrophobicContact CB-CG2 4.12Å
266	V	97.7	Very high	96.9	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.5	165.8	-179.7	0	0	0	0	108.7	F178 I181 I207 V230 V278 L280	F178-V266 HydrophobicContact CE1-CG1 4.38Å; F178-V266 HydrophobicContact CE2-CB 4.07Å; F178-V266 HydrophobicContact CZ-CB 3.77Å; F178-V266 HydrophobicContact CZ-CG1 4.03Å; F178-V266 WeakPolarHBondContact CZ-O 3.44Å; I181-V266 HydrophobicContact CD1-CG1 3.96Å; I207-V266 HydrophobicContact CD1-CB 4.46Å; I207-V266 HydrophobicContact CD1-CG1 4.01Å; I207-V266 HydrophobicContact CD1-CG2 4.02Å; I207-V266 HydrophobicContact CG1-CG2 4.02Å; I207-V266 HydrophobicContact CG2-CG2 3.78Å; V230-V266 HydrophobicContact CB-CG2 4.4Å; V230-V266 HydrophobicContact CG1-CG2 3.82Å; V266-V278 HydrophobicContact CG1-CG1 3.82Å; V266-V278 HydrophobicContact CG2-CG1 4.41Å; V266-L280 HydrophobicContact CB-CD2 4.27Å; V266-L280 HydrophobicContact CG2-CD2 3.66Å
267	L	96	Very high	97	Very high	76 Å²	76	52.5 Å²	52.5	40%	0.398	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-45.5	177.3	-60.5	-178.1	0	0	0	111.5	K265 Q279 E281	K265-L267 HydrophobicContact CD-CD2 4.16Å; K265-L267 HydrophobicContact CG-CD2 4.38Å; L267-Q279 HydrophobicContact CB-CB 4.21Å; L267-Q279 PolarHBondContact N-O 2.83Å; L267-E281 HydrophobicContact CD1-CB 4.06Å; L267-E281 HydrophobicContact CD2-CB 4.19Å; L267-E281 HydrophobicContact CG-CB 4.14Å
268	S	96.5	Very high	97	Very high	49 Å²	49	51.1 Å²	51.1	34%	0.343	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	162.9	-179.1	60.4	0	0	0	0	110.7	Q279	S268-Q279 PolarHBondContact O-N 3.45Å
269	A	97.5	Very high	97	Very high	21 Å²	21	54.2 Å²	54.2	17%	0.174	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.3	165.1	0	0	0	0	0	109.2	I181 I276 T277 V278 L296	I181-A269 HydrophobicContact CD1-CB 3.76Å; I181-A269 HydrophobicContact CG1-CB 3.97Å; I181-A269 HydrophobicContact CG2-CB 4.31Å; A269-I276 HydrophobicContact CB-CG2 4.06Å; A269-T277 WeakPolarHBondContact CA-O 3.43Å; A269-V278 HydrophobicContact CB-CG2 4.31Å; A269-L296 HydrophobicContact CB-CD2 3.45Å; A269-L296 VanDerWaalsContact CB-CD2 3.45Å
270	S	95.7	Very high	96.9	Very high	66 Å²	66	49.1 Å²	49.1	46%	0.462	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.9	179.6	57.3	0	0	0	0	110.5	I276 T277	S270-I276 WeakPolarHBondContact O-CA 3.38Å; S270-T277 PolarHBondContact N-O 3.48Å; S270-T277 PolarHBondContact O-N 3.1Å
271	K	95.2	Very high	96.9	Very high	106 Å²	106	50.7 Å²	50.7	46%	0.461	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.7	178.5	-173.7	176.9	179.5	176.9	0	110.8	D184 S187 G273 T275 I276	D184-K271 IonicContact OD2-NZ 3.96Å; D184-K271 PolarHBondContact OD2-NZ 3.45Å; S187-K271 VanDerWaalsContact OG-CE 3.27Å; S187-K271 WeakPolarHBondContact OG-CE 3.39Å; S187-K271 PolarHBondContact OG-NZ 3.46Å; K271-G273 WeakPolarHBondContact CE-O 3.17Å; K271-T275 WeakPolarHBondContact CA-O 3.34Å; K271-I276 HydrophobicContact CB-CG1 4.35Å; K271-I276 HydrophobicContact CG-CG1 4.25Å
272	S	94.5	Very high	96.8	Very high	95 Å²	95	49 Å²	49	66%	0.664	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	99	172.9	178.1	0	0	0	0	109.1	D274 T275	S272-D274 PolarHBondContact O-N 3.16Å; S272-T275 PolarHBondContact N-O 3.19Å; S272-T275 PolarHBondContact O-N 3.04Å
273	G	93.7	Very high	96.7	Very high	58 Å²	58	50.6 Å²	50.6	60%	0.598	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	-127	-171.3	0	0	0	0	0	111.5	K271 T275	K271-G273 WeakPolarHBondContact CE-O 3.17Å; G273-T275 VanDerWaalsContact C-N 3.33Å
274	D	93.3	Very high	96.5	Very high	137 Å²	137	56.4 Å²	56.4	73%	0.733	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-0.7	177.5	-67.8	-26.4	0	0	0	113.3	S272	S272-D274 PolarHBondContact O-N 3.16Å
275	T	97.4	Very high	96.2	Very high	62 Å²	62	60.3 Å²	60.3	38%	0.38	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.9	-178.8	-55.5	0	0	0	0	110.7	K271 S272 G273 D292	K271-T275 WeakPolarHBondContact CA-O 3.34Å; S272-T275 PolarHBondContact N-O 3.19Å; S272-T275 PolarHBondContact O-N 3.04Å; G273-T275 VanDerWaalsContact C-N 3.33Å; T275-D292 HydrophobicContact CG2-CB 3.75Å
276	I	98.4	Very high	96.1	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.3	170.6	-59.8	158.9	0	0	0	107.3	S187 V188 A269 S270 K271 V278 D292 C293 L296	S187-I276 VanDerWaalsContact O-CD1 3.32Å; S187-I276 WeakPolarHBondContact O-CD1 3.4Å; V188-I276 HydrophobicContact CG2-CD1 3.76Å; V188-I276 HydrophobicContact CG2-CG1 4.36Å; A269-I276 HydrophobicContact CB-CG2 4.06Å; S270-I276 WeakPolarHBondContact O-CA 3.38Å; K271-I276 HydrophobicContact CB-CG1 4.35Å; K271-I276 HydrophobicContact CG-CG1 4.25Å; I276-V278 HydrophobicContact CG2-CG2 4.25Å; I276-D292 CarbonylContact O-C 3.53Å; I276-D292 WeakPolarHBondContact O-CA 2.96Å; I276-C293 PolarHBondContact N-O 3.12Å; I276-C293 PolarHBondContact O-N 3.12Å; I276-L296 HydrophobicContact CD1-CB 3.95Å; I276-L296 HydrophobicContact CG2-CB 4.34Å; I276-L296 HydrophobicContact CG2-CD2 4.06Å
277	T	98.2	Very high	96	Very high	30 Å²	30	64.1 Å²	64.1	18%	0.184	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.7	173.6	-57.2	0	0	0	0	109.2	A269 S270 D292	A269-T277 WeakPolarHBondContact CA-O 3.43Å; S270-T277 PolarHBondContact N-O 3.48Å; S270-T277 PolarHBondContact O-N 3.1Å; T277-D292 WeakPolarHBondContact CA-OD1 3.34Å; T277-D292 VanDerWaalsContact CB-OD1 3.26Å; T277-D292 WeakPolarHBondContact CB-OD1 3.23Å; T277-D292 WeakPolarHBondContact CG2-OD1 3.3Å; T277-D292 PolarHBondContact OG1-OD1 2.05Å
278	V	98.2	Very high	96	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.1	178.1	-171.6	0	0	0	0	109.4	I205 V266 A269 I276 L280 S290 I291 L296	I205-V278 HydrophobicContact CD1-CB 4.17Å; I205-V278 HydrophobicContact CD1-CG2 3.74Å; I205-V278 HydrophobicContact CG2-CG2 4.41Å; V266-V278 HydrophobicContact CG1-CG1 3.82Å; V266-V278 HydrophobicContact CG2-CG1 4.41Å; A269-V278 HydrophobicContact CB-CG2 4.31Å; I276-V278 HydrophobicContact CG2-CG2 4.25Å; V278-L280 HydrophobicContact CG1-CD2 3.65Å; V278-L280 HydrophobicContact CG1-CG 4.33Å; V278-S290 WeakPolarHBondContact O-CA 3.47Å; V278-I291 PolarHBondContact N-O 3Å; V278-I291 PolarHBondContact O-N 3.4Å; V278-L296 HydrophobicContact CG2-CD1 3.79Å; V278-L296 HydrophobicContact CG2-CD2 4.17Å
279	Q	97.9	Very high	96	Very high	67 Å²	67	66.5 Å²	66.5	31%	0.313	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.3	176.4	-61.6	-62	-24.7	0	0	109.8	L267 S268	L267-Q279 HydrophobicContact CB-CB 4.21Å; L267-Q279 PolarHBondContact N-O 2.83Å; S268-Q279 PolarHBondContact O-N 3.45Å
280	L	97.8	Very high	96	Very high	0 Å²	0	69 Å²	69	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.1	-173.1	-56.3	-177.9	0	0	0	110.9	V230 L261 T264 K265 V266 V278 S288 Q289 I291	V230-L280 HydrophobicContact CG1-CD1 4.46Å; V230-L280 HydrophobicContact CG1-CD2 3.79Å; V230-L280 HydrophobicContact CG2-CD1 4.06Å; V230-L280 HydrophobicContact CG2-CD2 4.25Å; L261-L280 HydrophobicContact CD1-CD1 3.78Å; T264-L280 HydrophobicContact CG2-CB 3.85Å; T264-L280 HydrophobicContact CG2-CD1 4.21Å; T264-L280 HydrophobicContact CG2-CD2 4.37Å; T264-L280 HydrophobicContact CG2-CG 4.39Å; K265-L280 CarbonylContact O-C 3.31Å; K265-L280 WeakPolarHBondContact O-CA 3.06Å; V266-L280 HydrophobicContact CB-CD2 4.27Å; V266-L280 HydrophobicContact CG2-CD2 3.66Å; V278-L280 HydrophobicContact CG1-CD2 3.65Å; V278-L280 HydrophobicContact CG1-CG 4.33Å; L280-S288 CarbonylContact O-C 3.59Å; L280-S288 VanDerWaalsContact O-CA 3.25Å; L280-S288 WeakPolarHBondContact O-CA 3.4Å; L280-Q289 HydrophobicContact CB-CG 3.8Å; L280-Q289 HydrophobicContact CD1-CG 4.27Å; L280-Q289 PolarHBondContact N-O 2.96Å; L280-Q289 PolarHBondContact O-N 3.41Å; L280-I291 HydrophobicContact CD1-CD1 3.61Å; L280-I291 HydrophobicContact CD1-CG1 3.98Å
281	E	97.6	Very high	96.1	Very high	62 Å²	62	67.4 Å²	67.4	29%	0.29	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.4	174.2	-175.9	180	80.6	0	0	110.5	T264 K265 L267 V283 K287	T264-E281 CarbonylContact C-O 3.54Å; T264-E281 WeakPolarHBondContact CA-O 3.3Å; K265-E281 PolarHBondContact N-O 3.39Å; K265-E281 PolarHBondContact O-N 3.46Å; L267-E281 HydrophobicContact CD1-CB 4.06Å; L267-E281 HydrophobicContact CD2-CB 4.19Å; L267-E281 HydrophobicContact CG-CB 4.14Å; E281-V283 PolarHBondContact O-N 2.96Å; E281-K287 WeakPolarHBondContact CA-O 3.37Å
282	G	97.4	Very high	96.3	Very high	9 Å²	9	66.4 Å²	66.4	9%	0.093	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	124.3	173.2	0	0	0	0	0	111.5	K284 D285 G286 K287	G282-K284 PolarHBondContact O-N 3.14Å; G282-D285 WeakPolarHBondContact CA-OD1 3.36Å; G282-G286 VanDerWaalsContact O-CA 3.3Å; G282-G286 WeakPolarHBondContact O-CA 3.43Å; G282-G286 PolarHBondContact O-N 3.26Å; G282-K287 PolarHBondContact N-O 3.02Å
283	V	95.6	Very high	96.5	Very high	62 Å²	62	62.2 Å²	62.2	38%	0.376	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.8	-179.1	175.4	0	0	0	0	111.8	F232 N263 K265 E281	F232-V283 HydrophobicContact CD2-CG2 3.6Å; F232-V283 HydrophobicContact CE2-CG1 4.14Å; F232-V283 HydrophobicContact CE2-CG2 3.61Å; F232-V283 HydrophobicContact CG-CG2 4.45Å; F232-V283 HydrophobicContact CZ-CG1 4.28Å; F232-V283 HydrophobicContact CZ-CG2 4.45Å; N263-V283 VanDerWaalsContact C-CG2 3.45Å; N263-V283 HydrophobicContact CB-CB 4.31Å; N263-V283 VanDerWaalsContact O-CB 3.31Å; N263-V283 WeakPolarHBondContact O-CB 3.23Å; N263-V283 WeakPolarHBondContact O-CG2 3.15Å; N263-V283 PolarHBondContact O-N 3.27Å; K265-V283 HydrophobicContact CB-CG2 4.12Å; E281-V283 PolarHBondContact O-N 2.96Å
284	K	92.9	Very high	96.7	Very high	167 Å²	167	60.6 Å²	60.6	73%	0.726	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-33.1	-177.1	-67.9	-178.3	178.2	172	0	114	N263 G282	N263-K284 HydrophobicContact CB-CD 4.45Å; N263-K284 HydrophobicContact CB-CG 4.38Å; N263-K284 VanDerWaalsContact OD1-CE 3.26Å; N263-K284 WeakPolarHBondContact OD1-CE 3.44Å; G282-K284 PolarHBondContact O-N 3.14Å
285	D	93.2	Very high	96.9	Very high	93 Å²	93	54.3 Å²	54.3	50%	0.497	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-5.1	-170.5	66.8	-3.4	0	0	0	114.2	G282 K287	G282-D285 WeakPolarHBondContact CA-OD1 3.36Å; D285-K287 HydrophobicContact CB-CG 4.32Å; D285-K287 PolarHBondContact O-N 3.08Å; D285-K287 PolarHBondContact OD1-N 3.43Å; D285-K287 VanDerWaalsContact OD1-N 3.11Å; D285-K287 WeakPolarHBondContact OD2-CD 3.46Å; D285-K287 VanDerWaalsContact OD2-CE 3.3Å; D285-K287 WeakPolarHBondContact OD2-CE 3.35Å; D285-K287 WeakPolarHBondContact OD2-CG 3.44Å; D285-K287 IonicContact OD2-NZ 2.68Å
286	G	94.6	Very high	97	Very high	40 Å²	40	51.4 Å²	51.4	41%	0.412	28%	0.281	S	S	.	.			trans	65.8	12	-179	0	0	0	0	0	113.9	G282 S288	G282-G286 VanDerWaalsContact O-CA 3.3Å; G282-G286 WeakPolarHBondContact O-CA 3.43Å; G282-G286 PolarHBondContact O-N 3.26Å; G286-S288 PolarHBondContact O-N 2.93Å
287	K	95.1	Very high	97	Very high	145 Å²	145	51.3 Å²	51.3	63%	0.63	28%	0.28	S	S	*	.			trans	-72.1	119.9	-178.2	-72.7	-174.8	-166.1	161.8	0	110.2	E281 G282 D285	E281-K287 WeakPolarHBondContact CA-O 3.37Å; G282-K287 PolarHBondContact N-O 3.02Å; D285-K287 HydrophobicContact CB-CG 4.32Å; D285-K287 PolarHBondContact O-N 3.08Å; D285-K287 PolarHBondContact OD1-N 3.43Å; D285-K287 VanDerWaalsContact OD1-N 3.11Å; D285-K287 WeakPolarHBondContact OD2-CD 3.46Å; D285-K287 VanDerWaalsContact OD2-CE 3.3Å; D285-K287 WeakPolarHBondContact OD2-CE 3.35Å; D285-K287 WeakPolarHBondContact OD2-CG 3.44Å; D285-K287 IonicContact OD2-NZ 2.68Å
288	S	95.9	Very high	97	Very high	88 Å²	88	50 Å²	50	62%	0.615	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	142.4	173.5	-45.8	0	0	0	0	111.3	L280 G286	L280-S288 CarbonylContact O-C 3.59Å; L280-S288 VanDerWaalsContact O-CA 3.25Å; L280-S288 WeakPolarHBondContact O-CA 3.4Å; G286-S288 PolarHBondContact O-N 2.93Å
289	Q	96.8	Very high	97	Very high	88 Å²	88	50.7 Å²	50.7	41%	0.411	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	159.1	169.8	64.7	-176.7	-37	0	0	109.8	L280	L280-Q289 HydrophobicContact CB-CG 3.8Å; L280-Q289 HydrophobicContact CD1-CG 4.27Å; L280-Q289 PolarHBondContact N-O 2.96Å; L280-Q289 PolarHBondContact O-N 3.41Å
290	S	97.2	Very high	96.9	Very high	72 Å²	72	51 Å²	51	50%	0.503	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.1	173.7	60.1	0	0	0	0	110.5	V278	V278-S290 WeakPolarHBondContact O-CA 3.47Å
291	I	97.8	Very high	96.9	Very high	33 Å²	33	52.5 Å²	52.5	17%	0.169	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.9	174.7	-51.9	-177.9	0	0	0	108.3	I205 L261 V278 L280	I205-I291 HydrophobicContact CD1-CB 3.9Å; I205-I291 HydrophobicContact CD1-CG2 3.7Å; L261-I291 HydrophobicContact CD1-CD1 3.4Å; V278-I291 PolarHBondContact N-O 3Å; V278-I291 PolarHBondContact O-N 3.4Å; L280-I291 HydrophobicContact CD1-CD1 3.61Å; L280-I291 HydrophobicContact CD1-CG1 3.98Å
292	D	98.3	Very high	96.9	Very high	86 Å²	86	52.3 Å²	52.3	46%	0.46	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	145.6	176.1	-68.4	-22.4	0	0	0	110.7	H203 T275 I276 T277	H203-D292 PolarHBondContact CE1-O 3.16Å; H203-D292 PolarHBondContact ND1-O 3.03Å; T275-D292 HydrophobicContact CG2-CB 3.75Å; I276-D292 CarbonylContact O-C 3.53Å; I276-D292 WeakPolarHBondContact O-CA 2.96Å; T277-D292 WeakPolarHBondContact CA-OD1 3.34Å; T277-D292 VanDerWaalsContact CB-OD1 3.26Å; T277-D292 WeakPolarHBondContact CB-OD1 3.23Å; T277-D292 WeakPolarHBondContact CG2-OD1 3.3Å; T277-D292 PolarHBondContact OG1-OD1 2.05Å
293	C	98.6	Very high	97	Very high	6 Å²	6	56.9 Å²	56.9	4%	0.041	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	162.5	174.7	66.3	0	0	0	0	111	H203 I205 I276 T295	H203-C293 HydrophobicContact CB-CB 4.35Å; H203-C293 VanDerWaalsContact O-CB 3.31Å; H203-C293 WeakPolarHBondContact O-CB 3.32Å; I205-C293 HydrophobicContact CB-CB 4.27Å; I205-C293 HydrophobicContact CD1-CB 3.68Å; I205-C293 HydrophobicContact CG1-CB 3.69Å; I276-C293 PolarHBondContact N-O 3.12Å; I276-C293 PolarHBondContact O-N 3.12Å; C293-T295 PolarHBondContact SG-O 3.36Å
294	D	98.5	Very high	97.1	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.134	29%	0.294	C	S	.	.	S	Bend	trans	-97.4	-13.7	172.1	67.5	-55.4	0	0	0	112.7	P201 Q202 H203	P201-D294 WeakPolarHBondContact CA-OD2 3.41Å; Q202-D294 PolarHBondContact N-OD1 2.92Å; Q202-D294 PolarHBondContact N-OD2 2.74Å; H203-D294 PolarHBondContact N-OD1 3.01Å; H203-D294 PolarHBondContact O-N 3.35Å
295	T	98.7	Very high	97.4	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	134.4	172.1	-55.8	0	0	0	0	111	S187 V189 L197 P201 H203 L204 I205 C293	S187-T295 CarbonylContact O-C 3.58Å; S187-T295 WeakPolarHBondContact O-CA 3.34Å; V189-T295 HydrophobicContact CG2-CG2 4.08Å; L197-T295 HydrophobicContact CD1-CG2 4.06Å; L197-T295 HydrophobicContact CD2-CG2 4.25Å; P201-T295 HydrophobicContact CG-CG2 4.35Å; H203-T295 PolarHBondContact O-N 3.4Å; L204-T295 WeakPolarHBondContact CA-O 3.47Å; L204-T295 HydrophobicContact CD1-CG2 3.74Å; I205-T295 PolarHBondContact N-O 3.41Å; C293-T295 PolarHBondContact SG-O 3.36Å
296	L	98.7	Very high	97.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.9	177.8	-177.2	64	0	0	0	109.9	I181 S187 V188 V189 I205 I207 A269 I276 V278	I181-L296 HydrophobicContact CG2-CD2 4.28Å; S187-L296 PolarHBondContact O-N 3.13Å; V188-L296 CarbonylContact C-O 3.51Å; V188-L296 WeakPolarHBondContact CA-O 3.46Å; V188-L296 HydrophobicContact CG1-CD2 4.25Å; V188-L296 HydrophobicContact CG2-CB 4.42Å; V188-L296 HydrophobicContact CG2-CD2 4.5Å; V189-L296 PolarHBondContact N-O 3.03Å; I205-L296 HydrophobicContact CB-CD1 3.68Å; I205-L296 HydrophobicContact CG2-CD1 3.52Å; I205-L296 WeakPolarHBondContact O-CA 3.45Å; I207-L296 HydrophobicContact CD1-CD1 3.79Å; I207-L296 HydrophobicContact CD1-CD2 4.06Å; I207-L296 HydrophobicContact CD1-CG 4.14Å; I207-L296 HydrophobicContact CG1-CD1 3.79Å; A269-L296 HydrophobicContact CB-CD2 3.45Å; A269-L296 VanDerWaalsContact CB-CD2 3.45Å; I276-L296 HydrophobicContact CD1-CB 3.95Å; I276-L296 HydrophobicContact CG2-CB 4.34Å; I276-L296 HydrophobicContact CG2-CD2 4.06Å; V278-L296 HydrophobicContact CG2-CD1 3.79Å; V278-L296 HydrophobicContact CG2-CD2 4.17Å
297	L	98.7	Very high	97.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.3	173.2	168	58.5	0	0	0	110.3	V189 S190 A194 L204 I205 V206 I207 L216 C299	V189-L297 HydrophobicContact CG2-CB 4.24Å; V189-L297 HydrophobicContact CG2-CD1 4.32Å; V189-L297 CarbonylContact O-C 3.57Å; V189-L297 WeakPolarHBondContact O-CA 3.35Å; S190-L297 WeakPolarHBondContact O-CD1 3.1Å; A194-L297 HydrophobicContact CB-CD1 3.92Å; A194-L297 HydrophobicContact CB-CD2 4.3Å; L204-L297 HydrophobicContact CD1-CB 4Å; I205-L297 PolarHBondContact O-N 3.06Å; V206-L297 HydrophobicContact CG1-CD2 3.99Å; V206-L297 HydrophobicContact CG1-CG 4.27Å; V206-L297 HydrophobicContact CG2-CB 4.39Å; V206-L297 HydrophobicContact CG2-CD2 4.21Å; I207-L297 PolarHBondContact N-O 3.46Å; L216-L297 HydrophobicContact CB-CD2 3.89Å; L216-L297 HydrophobicContact CD1-CD2 3.99Å; L297-C299 HydrophobicContact CD1-CB 4.2Å; L297-C299 HydrophobicContact CG-CB 4.23Å
298	V	98.5	Very high	97.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	107.8	172.2	-174.9	0	0	0	0	109.6	F178 I181 V183 V188 V189 I207	F178-V298 HydrophobicContact CB-CG1 3.78Å; I181-V298 HydrophobicContact CG2-CG2 4.09Å; V183-V298 HydrophobicContact CG2-CB 4.26Å; V183-V298 HydrophobicContact CG2-CG2 4.17Å; V188-V298 HydrophobicContact CG1-CG2 4.11Å; V189-V298 PolarHBondContact O-N 3.13Å; I207-V298 HydrophobicContact CD1-CG2 4.43Å
299	C	97.1	Very high	98	Very high	15 Å²	15	38.7 Å²	38.7	10%	0.101	22%	0.222	C	C	.	.			trans	-140.2	45.2	-179	59.6	0	0	0	0	113.2	V206 I207 G208 I212 G213 L297 G301	V206-C299 WeakPolarHBondContact CG1-SG 3.32Å; I207-C299 CarbonylContact O-C 3.58Å; I207-C299 PolarHBondContact O-N 3.28Å; I207-C299 PolarHBondContact O-SG 3.08Å; I207-C299 VanDerWaalsContact O-SG 3.34Å; G208-C299 PolarHBondContact O-SG 3.38Å; G208-C299 VanDerWaalsContact O-SG 3.39Å; I212-C299 HydrophobicContact CG2-CB 4.13Å; G213-C299 WeakPolarHBondContact CA-SG 3.49Å; L297-C299 HydrophobicContact CD1-CB 4.2Å; L297-C299 HydrophobicContact CG-CB 4.23Å; C299-G301 PolarHBondContact O-N 3.01Å
300	I	97.2	Very high	98	Very high	73 Å²	73	34.6 Å²	34.6	37%	0.374	20%	0.203	S	C	.	.	S	Bend	trans	-70.1	-6.6	-179.2	58.2	165.2	0	0	0	115.1	T176 F178 I207	T176-I300 HydrophobicContact CG2-CD1 4.01Å; T176-I300 HydrophobicContact CG2-CG1 4.35Å; F178-I300 HydrophobicContact CB-CD1 4.21Å; F178-I300 HydrophobicContact CD2-CD1 3.96Å; F178-I300 HydrophobicContact CD2-CG2 3.97Å; F178-I300 HydrophobicContact CE2-CG2 4.47Å; F178-I300 HydrophobicContact CG-CD1 4.49Å; I207-I300 HydrophobicContact CB-CG2 4.44Å; I207-I300 HydrophobicContact CG2-CG2 3.59Å; I207-I300 PolarHBondContact O-N 3.01Å
301	G	96.9	Very high	98.1	Very high	33 Å²	33	31.7 Å²	31.7	34%	0.34	18%	0.182	S	C	.	.			trans	148.4	-178.5	178.4	0	0	0	0	0	112.9	T176 C299	T176-G301 WeakPolarHBondContact CB-O 3.35Å; T176-G301 PolarHBondContact N-O 2.99Å; T176-G301 VanDerWaalsContact OG1-C 3.29Å; T176-G301 PolarHBondContact OG1-O 3.32Å; C299-G301 PolarHBondContact O-N 3.01Å
302	R	98.3	Very high	98.1	Very high	57 Å²	57	36.9 Å²	36.9	22%	0.215	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.6	175.3	-61	-176.7	62.7	73.1	6.2	109.2	T67 S173 E174 T176 I212 M348	T67-R302 PolarHBondContact OG1-NH2 3.49Å; S173-R302 PolarHBondContact O-NH2 3.09Å; S173-R302 VanDerWaalsContact OG-CZ 3.24Å; S173-R302 PolarHBondContact OG-NE 2.9Å; S173-R302 PolarHBondContact OG-NH2 3.01Å; E174-R302 CarbonylContact O-C 3.6Å; E174-R302 VanDerWaalsContact O-CA 3.28Å; E174-R302 WeakPolarHBondContact O-CA 3.33Å; T176-R302 VanDerWaalsContact OG1-C 3.26Å; T176-R302 WeakPolarHBondContact OG1-CA 3.36Å; T176-R302 PolarHBondContact OG1-N 2.95Å; I212-R302 HydrophobicContact CD1-CG 4.45Å; R302-M348 HydrophobicContact CB-CE 3.63Å; R302-M348 HydrophobicContact CB-SD 4.24Å
303	R	98.1	Very high	98.1	Very high	105 Å²	105	37.4 Å²	37.4	40%	0.396	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.4	179	68.4	179.8	-173.2	-173.6	-0.6	110.9	S173 E174	S173-R303 CarbonylContact C-O 3.59Å; S173-R303 WeakPolarHBondContact CA-O 3.48Å; S173-R303 WeakPolarHBondContact CB-O 2.98Å; E174-R303 HydrophobicContact CG-CG 3.72Å; E174-R303 PolarHBondContact N-O 3.29Å; E174-R303 PolarHBondContact O-N 2.89Å; E174-R303 IonicContact OE1-CZ 3.33Å; E174-R303 IonicContact OE1-NE 3.12Å; E174-R303 PolarHBondContact OE1-NE 3.23Å; E174-R303 IonicContact OE1-NH2 3.2Å; E174-R303 PolarHBondContact OE1-NH2 2.93Å
304	P	98.7	Very high	98.1	Very high	18 Å²	18	38 Å²	38	12%	0.117	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	139.1	178.4	26.6	-38.2	0	0	0	111.4	K321 G322 R323	P304-K321 WeakPolarHBondContact CG-O 3.4Å; P304-G322 WeakPolarHBondContact CG-O 3.37Å; P304-R323 HydrophobicContact CB-CG 4.2Å; P304-R323 HydrophobicContact CG-CB 4.42Å; P304-R323 HydrophobicContact CG-CG 3.73Å
305	Y	98.6	Very high	98	Very high	51 Å²	51	39.1 Å²	39.1	20%	0.2	23%	0.229	C	C	.	.			trans	-103.4	108.8	177.4	-178.8	-95.5	0	0	0	110.5	T171 G172 E174	T171-Y305 VanDerWaalsContact CB-O 3.25Å; T171-Y305 WeakPolarHBondContact CB-O 3.46Å; T171-Y305 PolarHBondContact OG1-O 2.94Å; G172-Y305 PolarHBondContact O-N 2.98Å; E174-Y305 HydrophobicContact CB-CD2 4.32Å; E174-Y305 HydrophobicContact CG-CD2 4.21Å; E174-Y305 WeakPolarHBondContact OE2-CD2 3.41Å
306	T	98.2	Very high	98	Very high	22 Å²	22	39.4 Å²	39.4	14%	0.135	23%	0.23	C	C	.	.			trans	-130.2	2.8	-179.3	54.6	0	0	0	0	113	G308 L309 L311 L318 I324	T306-G308 PolarHBondContact O-N 2.96Å; T306-L309 VanDerWaalsContact O-CB 3.26Å; T306-L309 WeakPolarHBondContact O-CB 3.4Å; T306-L309 PolarHBondContact O-N 2.99Å; T306-L311 HydrophobicContact CG2-CD1 4.25Å; T306-L318 HydrophobicContact CG2-CD2 4.07Å; T306-L318 WeakPolarHBondContact OG1-CD1 3.28Å; T306-I324 HydrophobicContact CG2-CD1 3.95Å; T306-I324 HydrophobicContact CG2-CG1 4.03Å
307	S	97.2	Very high	98	Very high	67 Å²	67	47.8 Å²	47.8	47%	0.469	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	127.3	-178.9	-60.2	0	0	0	0	111.5	F141 L309	F141-S307 WeakPolarHBondContact CZ-O 3.49Å; S307-L309 PolarHBondContact O-N 3.26Å
308	G	97.5	Very high	98	Very high	51 Å²	51	51 Å²	51	53%	0.526	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	4	176.5	0	0	0	0	0	115.7	F141 T306 G310	F141-G308 WeakPolarHBondContact CE1-O 3.4Å; T306-G308 PolarHBondContact O-N 2.96Å; G308-G310 PolarHBondContact O-N 2.84Å
309	L	98.2	Very high	98	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	29%	0.292	C	S	.	.	S	Bend	trans	-71.3	-12.3	-173.5	-172.4	59.3	0	0	0	114.1	I35 S143 I144 I169 T171 T306 S307 L311 I324	I35-L309 HydrophobicContact CD1-CD1 3.92Å; I35-L309 HydrophobicContact CG2-CD1 3.91Å; S143-L309 WeakPolarHBondContact CA-O 3.47Å; I144-L309 HydrophobicContact CD1-CG 4.41Å; I144-L309 PolarHBondContact N-O 3.24Å; I169-L309 HydrophobicContact CD1-CD2 4.04Å; I169-L309 HydrophobicContact CG1-CD2 4.18Å; I169-L309 HydrophobicContact CG2-CD2 3.53Å; T171-L309 HydrophobicContact CG2-CD1 3.93Å; T171-L309 HydrophobicContact CG2-CD2 4.08Å; T306-L309 VanDerWaalsContact O-CB 3.26Å; T306-L309 WeakPolarHBondContact O-CB 3.4Å; T306-L309 PolarHBondContact O-N 2.99Å; S307-L309 PolarHBondContact O-N 3.26Å; L309-L311 HydrophobicContact CB-CG 4.26Å; L309-L311 HydrophobicContact CD2-CD1 4.48Å; L309-L311 HydrophobicContact CD2-CD2 3.84Å; L309-L311 HydrophobicContact CD2-CG 4.16Å; L309-L311 HydrophobicContact CG-CD2 4.17Å; L309-L311 HydrophobicContact CG-CG 4.34Å; L309-I324 HydrophobicContact CD2-CD1 4.5Å
310	G	98.2	Very high	98	Very high	2 Å²	2	59.5 Å²	59.5	2%	0.021	32%	0.322	C	S	.	.			trans	77.7	26.4	-179.5	0	0	0	0	0	113.9	G308 E312 N313	G308-G310 PolarHBondContact O-N 2.84Å; G310-E312 PolarHBondContact O-N 3.34Å; G310-N313 WeakPolarHBondContact O-CB 3.47Å; G310-N313 PolarHBondContact O-N 2.93Å; G310-N313 VanDerWaalsContact O-N 3.09Å
311	L	98.4	Very high	97.9	Very high	10 Å²	10	62.4 Å²	62.4	5%	0.052	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-61.2	-33.4	179.4	-64.8	-178.9	0	0	0	112.1	I144 I169 T306 L309 N313 V314 G315 I316 L318 I324	I144-L311 HydrophobicContact CD1-CD2 4.38Å; I169-L311 HydrophobicContact CD1-CD2 3.86Å; T306-L311 HydrophobicContact CG2-CD1 4.25Å; L309-L311 HydrophobicContact CB-CG 4.26Å; L309-L311 HydrophobicContact CD2-CD1 4.48Å; L309-L311 HydrophobicContact CD2-CD2 3.84Å; L309-L311 HydrophobicContact CD2-CG 4.16Å; L309-L311 HydrophobicContact CG-CD2 4.17Å; L309-L311 HydrophobicContact CG-CG 4.34Å; L311-N313 VanDerWaalsContact C-N 3.26Å; L311-N313 PolarHBondContact O-N 3.43Å; L311-V314 CarbonylContact O-C 3.59Å; L311-V314 WeakPolarHBondContact O-CG2 3.46Å; L311-V314 PolarHBondContact O-N 3.4Å; L311-G315 PolarHBondContact O-N 3.05Å; L311-I316 HydrophobicContact CB-CB 4.27Å; L311-I316 HydrophobicContact CD2-CB 4.23Å; L311-I316 HydrophobicContact CD2-CD1 4.22Å; L311-I316 HydrophobicContact CD2-CG2 4.23Å; L311-I316 PolarHBondContact O-N 2.96Å; L311-L318 HydrophobicContact CD1-CD2 3.57Å; L311-L318 HydrophobicContact CD1-CG 4.23Å; L311-I324 HydrophobicContact CD1-CD1 4.3Å; L311-I324 HydrophobicContact CD1-CG1 4.13Å; L311-I324 HydrophobicContact CD2-CD1 4.48Å
312	E	97.6	Very high	98	Very high	142 Å²	142	62 Å²	62	66%	0.664	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-60.9	-32.1	174.8	65.7	-77.8	-176.2	0	0	112.9	G310 V314 G315	G310-E312 PolarHBondContact O-N 3.34Å; E312-V314 PolarHBondContact O-N 2.71Å; E312-G315 PolarHBondContact O-N 3.39Å
313	N	98	Very high	98	Very high	97 Å²	97	61.9 Å²	61.9	52%	0.519	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-68.6	-22.3	-179.9	-60.2	-33.5	0	0	0	112.4	I144 V145 G310 L311	I144-N313 PolarHBondContact O-ND2 3.04Å; V145-N313 WeakPolarHBondContact O-CB 3.49Å; G310-N313 WeakPolarHBondContact O-CB 3.47Å; G310-N313 PolarHBondContact O-N 2.93Å; G310-N313 VanDerWaalsContact O-N 3.09Å; L311-N313 VanDerWaalsContact C-N 3.26Å; L311-N313 PolarHBondContact O-N 3.43Å
314	V	98.2	Very high	98	Very high	20 Å²	20	56.9 Å²	56.9	12%	0.121	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-117.5	5.4	-178.5	-64.8	0	0	0	0	112.9	I144 P147 L311 E312 I316 V334 I337	I144-V314 HydrophobicContact CG2-CG1 3.6Å; I144-V314 HydrophobicContact CG2-CG2 4.15Å; P147-V314 HydrophobicContact CG-CG1 4.22Å; L311-V314 CarbonylContact O-C 3.59Å; L311-V314 WeakPolarHBondContact O-CG2 3.46Å; L311-V314 PolarHBondContact O-N 3.4Å; E312-V314 PolarHBondContact O-N 2.71Å; V314-I316 VanDerWaalsContact C-N 3.34Å; V314-I316 HydrophobicContact CG2-CB 4.48Å; V314-I316 HydrophobicContact CG2-CD1 3.69Å; V314-I316 HydrophobicContact CG2-CG1 3.92Å; V314-I316 PolarHBondContact O-N 3.47Å; V314-V334 HydrophobicContact CB-CG2 4.24Å; V314-V334 VanDerWaalsContact O-CG2 3.25Å; V314-V334 WeakPolarHBondContact O-CG2 3.45Å; V314-I337 HydrophobicContact CB-CD1 4.11Å; V314-I337 HydrophobicContact CG1-CD1 4.11Å; V314-I337 HydrophobicContact CG2-CD1 3.87Å
315	G	97.7	Very high	98	Very high	48 Å²	48	58.9 Å²	58.9	50%	0.495	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	20.2	175	0	0	0	0	0	115.3	L311 E312 K317	L311-G315 PolarHBondContact O-N 3.05Å; E312-G315 PolarHBondContact O-N 3.39Å; G315-K317 PolarHBondContact O-N 3.09Å
316	I	98.5	Very high	98.1	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.051	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-78.7	117.8	175.7	-66.1	167.9	0	0	0	108.7	L311 V314 I324 T332 V334 I337	L311-I316 HydrophobicContact CB-CB 4.27Å; L311-I316 HydrophobicContact CD2-CB 4.23Å; L311-I316 HydrophobicContact CD2-CD1 4.22Å; L311-I316 HydrophobicContact CD2-CG2 4.23Å; L311-I316 PolarHBondContact O-N 2.96Å; V314-I316 VanDerWaalsContact C-N 3.34Å; V314-I316 HydrophobicContact CG2-CB 4.48Å; V314-I316 HydrophobicContact CG2-CD1 3.69Å; V314-I316 HydrophobicContact CG2-CG1 3.92Å; V314-I316 PolarHBondContact O-N 3.47Å; I316-I324 HydrophobicContact CG2-CG2 4.04Å; I316-T332 HydrophobicContact CD1-CG2 4.04Å; I316-T332 WeakPolarHBondContact CD1-OG1 3.42Å; I316-V334 HydrophobicContact CD1-CG2 4.23Å; I316-V334 HydrophobicContact CG1-CG2 3.9Å; I316-I337 HydrophobicContact CD1-CB 4.22Å; I316-I337 HydrophobicContact CD1-CD1 4.03Å; I316-I337 HydrophobicContact CD1-CG2 3.82Å
317	K	98	Very high	98	Very high	176 Å²	176	60.8 Å²	60.8	77%	0.765	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-93.8	137.8	176.9	-62.9	-174.9	-179	-178.8	0	110.4	G315 P325	G315-K317 PolarHBondContact O-N 3.09Å; K317-P325 WeakPolarHBondContact O-CD 3.3Å; K317-P325 WeakPolarHBondContact O-CG 3.38Å
318	L	98.5	Very high	98	Very high	69 Å²	69	65.8 Å²	65.8	36%	0.361	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-79.1	155.9	172.3	-57.9	177	0	0	0	110.8	T306 L311 R323 I324	T306-L318 HydrophobicContact CG2-CD2 4.07Å; T306-L318 WeakPolarHBondContact OG1-CD1 3.28Å; L311-L318 HydrophobicContact CD1-CD2 3.57Å; L311-L318 HydrophobicContact CD1-CG 4.23Å; L318-R323 CarbonylContact C-O 3.4Å; L318-R323 VanDerWaalsContact CA-O 3.31Å; L318-R323 WeakPolarHBondContact CA-O 3.45Å; L318-I324 HydrophobicContact CD2-CB 4.48Å; L318-I324 HydrophobicContact CD2-CG1 3.61Å
319	D	98.1	Very high	98	Very high	33 Å²	33	66 Å²	66	18%	0.176	34%	0.338	C	S	.	.			trans	-77.1	179.6	168.9	75.7	11.6	0	0	0	112.6	K321 G322 R323 P325	D319-K321 PolarHBondContact O-N 3.36Å; D319-K321 VanDerWaalsContact O-N 3.09Å; D319-K321 WeakPolarHBondContact OD1-CA 3.44Å; D319-K321 PolarHBondContact OD1-N 2.89Å; D319-G322 PolarHBondContact O-N 3.26Å; D319-G322 PolarHBondContact OD1-N 2.8Å; D319-G322 VanDerWaalsContact OD1-N 3.09Å; D319-R323 PolarHBondContact N-O 2.91Å; D319-R323 PolarHBondContact OD1-N 3.38Å; D319-R323 IonicContact OD1-NE 2.87Å; D319-R323 PolarHBondContact OD1-NE 3.13Å; D319-R323 IonicContact OD1-NH2 2.7Å; D319-R323 IonicContact OD2-CZ 3.46Å; D319-R323 IonicContact OD2-NE 3.99Å; D319-R323 PolarHBondContact OD2-NE 3Å; D319-R323 IonicContact OD2-NH2 3.87Å; D319-R323 PolarHBondContact OD2-NH2 3.4Å; D319-P325 HydrophobicContact CB-CG 4.37Å
320	E	97.3	Very high	98.1	Very high	160 Å²	160	65.9 Å²	65.9	75%	0.748	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-13.2	-177.3	75.2	-69.8	165.5	0	0	114.5	R323	E320-R323 IonicContact OE1-NH2 2.75Å
321	K	96.8	Very high	98.1	Very high	135 Å²	135	68 Å²	68	59%	0.587	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	9	175.9	-59.4	-172	-177.1	-179.6	0	112.3	P304 D319 R323	P304-K321 WeakPolarHBondContact CG-O 3.4Å; D319-K321 PolarHBondContact O-N 3.36Å; D319-K321 VanDerWaalsContact O-N 3.09Å; D319-K321 WeakPolarHBondContact OD1-CA 3.44Å; D319-K321 PolarHBondContact OD1-N 2.89Å; K321-R323 VanDerWaalsContact C-N 3.33Å; K321-R323 HydrophobicContact CB-CG 4.43Å
322	G	98	Very high	98.1	Very high	23 Å²	23	68 Å²	68	24%	0.237	35%	0.348	C	S	.	.	S	Bend	trans	78.2	12.2	178.5	0	0	0	0	0	114.6	P304 D319	P304-G322 WeakPolarHBondContact CG-O 3.37Å; D319-G322 PolarHBondContact O-N 3.26Å; D319-G322 PolarHBondContact OD1-N 2.8Å; D319-G322 VanDerWaalsContact OD1-N 3.09Å
323	R	98.7	Very high	98.1	Very high	55 Å²	55	65.5 Å²	65.5	21%	0.208	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-88.1	155.2	-179.2	-55.4	167.6	-64.9	-175.6	3	110.2	P304 L318 D319 E320 K321 P325 C343	P304-R323 HydrophobicContact CB-CG 4.2Å; P304-R323 HydrophobicContact CG-CB 4.42Å; P304-R323 HydrophobicContact CG-CG 3.73Å; L318-R323 CarbonylContact C-O 3.4Å; L318-R323 VanDerWaalsContact CA-O 3.31Å; L318-R323 WeakPolarHBondContact CA-O 3.45Å; D319-R323 PolarHBondContact N-O 2.91Å; D319-R323 PolarHBondContact OD1-N 3.38Å; D319-R323 IonicContact OD1-NE 2.87Å; D319-R323 PolarHBondContact OD1-NE 3.13Å; D319-R323 IonicContact OD1-NH2 2.7Å; D319-R323 IonicContact OD2-CZ 3.46Å; D319-R323 IonicContact OD2-NE 3.99Å; D319-R323 PolarHBondContact OD2-NE 3Å; D319-R323 IonicContact OD2-NH2 3.87Å; D319-R323 PolarHBondContact OD2-NH2 3.4Å; E320-R323 IonicContact OE1-NH2 2.75Å; K321-R323 VanDerWaalsContact C-N 3.33Å; K321-R323 HydrophobicContact CB-CG 4.43Å; R323-P325 WeakPolarHBondContact O-CD 3.43Å; R323-C343 CarbonylContact C-O 3.56Å; R323-C343 WeakPolarHBondContact CA-O 3.36Å
324	I	98.8	Very high	98.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-81.7	117.4	174.2	-63	162.9	0	0	0	108.5	I169 T306 L309 L311 I316 L318 V326 T332 A339 C343 I344	I169-I324 HydrophobicContact CB-CD1 4.31Å; I169-I324 HydrophobicContact CD1-CD1 3.91Å; I169-I324 HydrophobicContact CG2-CD1 3.67Å; T306-I324 HydrophobicContact CG2-CD1 3.95Å; T306-I324 HydrophobicContact CG2-CG1 4.03Å; L309-I324 HydrophobicContact CD2-CD1 4.5Å; L311-I324 HydrophobicContact CD1-CD1 4.3Å; L311-I324 HydrophobicContact CD1-CG1 4.13Å; L311-I324 HydrophobicContact CD2-CD1 4.48Å; I316-I324 HydrophobicContact CG2-CG2 4.04Å; L318-I324 HydrophobicContact CD2-CB 4.48Å; L318-I324 HydrophobicContact CD2-CG1 3.61Å; I324-V326 HydrophobicContact CG2-CG1 4.32Å; I324-V326 PolarHBondContact O-N 3.1Å; I324-T332 HydrophobicContact CG2-CG2 3.62Å; I324-A339 HydrophobicContact CB-CB 4.06Å; I324-A339 HydrophobicContact CD1-CB 4.06Å; I324-A339 HydrophobicContact CG2-CB 3.76Å; I324-C343 HydrophobicContact CD1-CB 4.49Å; I324-C343 PolarHBondContact N-O 3.19Å; I324-I344 HydrophobicContact CB-CG2 4.31Å; I324-I344 WeakPolarHBondContact O-CG2 3.45Å
325	P	98.6	Very high	98.1	Very high	60 Å²	60	65.4 Å²	65.4	39%	0.39	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-66.9	133.8	174.1	-17.9	32.2	0	0	0	110.4	K317 D319 R323	K317-P325 WeakPolarHBondContact O-CD 3.3Å; K317-P325 WeakPolarHBondContact O-CG 3.38Å; D319-P325 HydrophobicContact CB-CG 4.37Å; R323-P325 WeakPolarHBondContact O-CD 3.43Å
326	V	98.7	Very high	98.2	Very high	42 Å²	42	64.6 Å²	64.6	26%	0.255	34%	0.335	S	S	.	.			trans	-133.6	155.2	176.7	-64.3	0	0	0	0	111.3	I324 F330 Q331 T332 A339 I344	I324-V326 HydrophobicContact CG2-CG1 4.32Å; I324-V326 PolarHBondContact O-N 3.1Å; V326-F330 WeakPolarHBondContact CG1-O 3.31Å; V326-F330 HydrophobicContact CG2-CD1 4.43Å; V326-Q331 CarbonylContact C-O 3.56Å; V326-Q331 WeakPolarHBondContact CA-O 3.3Å; V326-T332 HydrophobicContact CG1-CG2 4.28Å; V326-A339 HydrophobicContact CG1-CB 3.86Å; V326-I344 HydrophobicContact CG1-CG2 4.01Å; V326-I344 HydrophobicContact CG2-CB 4.29Å; V326-I344 HydrophobicContact CG2-CD1 3.85Å; V326-I344 HydrophobicContact CG2-CG2 4.31Å
327	N	98.1	Very high	98.2	Very high	72 Å²	72	64.1 Å²	64.1	39%	0.385	33%	0.332	S	S	.	.			trans	-81.6	-177.2	168.6	73.3	12.1	0	0	0	111.3	N329 F330 Q331	N327-N329 PolarHBondContact O-N 3.45Å; N327-N329 VanDerWaalsContact O-N 3.09Å; N327-N329 WeakPolarHBondContact OD1-CA 3.48Å; N327-N329 WeakPolarHBondContact OD1-CB 3.5Å; N327-N329 PolarHBondContact OD1-N 3.31Å; N327-F330 PolarHBondContact O-N 3.36Å; N327-F330 PolarHBondContact OD1-N 3.03Å; N327-Q331 PolarHBondContact N-O 3.05Å; N327-Q331 PolarHBondContact ND2-OE1 2.84Å; N327-Q331 PolarHBondContact OD1-N 2.88Å
328	K	96.9	Very high	98.2	Very high	171 Å²	171	56.7 Å²	56.7	74%	0.743	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.2	178	65.9	171.7	-173.9	175.5	0	115.4	V369	K328-V369 WeakPolarHBondContact O-CG1 3.36Å
329	N	97.8	Very high	98.2	Very high	55 Å²	55	53.4 Å²	53.4	29%	0.294	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	15.3	177.6	-60.8	-20.1	0	0	0	111.5	N327 Q331 Y338	N327-N329 PolarHBondContact O-N 3.45Å; N327-N329 VanDerWaalsContact O-N 3.09Å; N327-N329 WeakPolarHBondContact OD1-CA 3.48Å; N327-N329 WeakPolarHBondContact OD1-CB 3.5Å; N327-N329 PolarHBondContact OD1-N 3.31Å; N329-Q331 HydrophobicContact CB-CG 4.35Å; N329-Q331 PolarHBondContact O-N 2.82Å; N329-Q331 VanDerWaalsContact O-N 3.13Å; N329-Y338 WeakPolarHBondContact O-CD1 3.46Å
330	F	98.8	Very high	98.3	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.018	27%	0.274	C	S	.	.	S	Bend	trans	63.3	13.5	-177.9	-54.7	-77.4	0	0	0	115	V326 N327 Y338 A339 I340 I344 E356 I359 C360 V369 I371	V326-F330 WeakPolarHBondContact CG1-O 3.31Å; V326-F330 HydrophobicContact CG2-CD1 4.43Å; N327-F330 PolarHBondContact O-N 3.36Å; N327-F330 PolarHBondContact OD1-N 3.03Å; F330-Y338 HydrophobicContact CB-CD1 4.48Å; F330-Y338 CarbonylContact O-C 3.47Å; F330-Y338 WeakPolarHBondContact O-CA 3.45Å; F330-Y338 WeakPolarHBondContact O-CB 3.33Å; F330-A339 PolarHBondContact O-N 3.39Å; F330-I340 HydrophobicContact CB-CG2 4.11Å; F330-I340 HydrophobicContact CD1-CG2 3.99Å; F330-I340 HydrophobicContact CG-CG2 4.02Å; F330-I344 HydrophobicContact CD1-CD1 3.82Å; F330-I344 HydrophobicContact CE1-CD1 3.99Å; F330-E356 HydrophobicContact CD1-CG 4.48Å; F330-E356 HydrophobicContact CE1-CB 4.01Å; F330-E356 HydrophobicContact CE1-CG 3.54Å; F330-E356 HydrophobicContact CZ-CB 4.11Å; F330-E356 HydrophobicContact CZ-CG 3.67Å; F330-I359 HydrophobicContact CD2-CG1 4.44Å; F330-I359 HydrophobicContact CE2-CD1 3.61Å; F330-I359 HydrophobicContact CE2-CG1 3.61Å; F330-I359 HydrophobicContact CZ-CD1 3.85Å; F330-I359 HydrophobicContact CZ-CG1 4.25Å; F330-C360 HydrophobicContact CB-CB 4.13Å; F330-C360 HydrophobicContact CD2-CB 3.76Å; F330-C360 HydrophobicContact CG-CB 4.11Å; F330-V369 HydrophobicContact CD2-CG1 3.9Å; F330-V369 HydrophobicContact CE2-CG1 3.51Å; F330-I371 HydrophobicContact CZ-CG2 4.12Å
331	Q	98.6	Very high	98.4	Very high	45 Å²	45	44.4 Å²	44.4	21%	0.21	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-79.8	137.2	177.2	-64.9	169.8	-52.8	0	0	110.5	V326 N327 N329 P335 Y338	V326-Q331 CarbonylContact C-O 3.56Å; V326-Q331 WeakPolarHBondContact CA-O 3.3Å; N327-Q331 PolarHBondContact N-O 3.05Å; N327-Q331 PolarHBondContact ND2-OE1 2.84Å; N327-Q331 PolarHBondContact OD1-N 2.88Å; N329-Q331 HydrophobicContact CB-CG 4.35Å; N329-Q331 PolarHBondContact O-N 2.82Å; N329-Q331 VanDerWaalsContact O-N 3.13Å; Q331-P335 PolarHBondContact NE2-O 2.98Å; Q331-Y338 HydrophobicContact CB-CD1 4.4Å; Q331-Y338 HydrophobicContact CB-CE1 4.39Å; Q331-Y338 HydrophobicContact CG-CD1 3.6Å; Q331-Y338 HydrophobicContact CG-CE1 3.19Å; Q331-Y338 HydrophobicContact CG-CG 4.44Å; Q331-Y338 PolarHBondContact NE2-OH 3.26Å
332	T	98.8	Very high	98.4	Very high	12 Å²	12	39.3 Å²	39.3	7%	0.074	22%	0.219	C	C	.	.			trans	-75.8	-171	169.9	71.3	0	0	0	0	110.9	I316 I324 V326 V334 I337 A339	I316-T332 HydrophobicContact CD1-CG2 4.04Å; I316-T332 WeakPolarHBondContact CD1-OG1 3.42Å; I324-T332 HydrophobicContact CG2-CG2 3.62Å; V326-T332 HydrophobicContact CG1-CG2 4.28Å; T332-V334 PolarHBondContact O-N 3.12Å; T332-V334 PolarHBondContact OG1-N 3.39Å; T332-V334 VanDerWaalsContact OG1-N 3.13Å; T332-V334 PolarHBondContact OG1-O 3.05Å; T332-I337 WeakPolarHBondContact CB-O 3.46Å; T332-I337 HydrophobicContact CG2-CG2 4.1Å; T332-I337 WeakPolarHBondContact CG2-O 3.5Å; T332-I337 PolarHBondContact N-O 3.21Å; T332-I337 PolarHBondContact OG1-O 3.28Å; T332-A339 HydrophobicContact CG2-CB 4.25Å
333	S	98.2	Very high	98.5	Very high	89 Å²	89	38.2 Å²	38.2	62%	0.622	21%	0.208	S	C	*	.	S	Bend	trans	-63	-14	169.7	56.2	0	0	0	0	113.8
334	V	98.5	Very high	98.5	Very high	18 Å²	18	35.8 Å²	35.8	11%	0.109	20%	0.199	C	C	.	.	S	Bend	trans	-104.2	115.9	174.8	-177.1	0	0	0	0	108.3	P147 V314 I316 T332 N336 I337	P147-V334 HydrophobicContact CB-CG1 3.97Å; P147-V334 HydrophobicContact CG-CG1 4.06Å; V314-V334 HydrophobicContact CB-CG2 4.24Å; V314-V334 VanDerWaalsContact O-CG2 3.25Å; V314-V334 WeakPolarHBondContact O-CG2 3.45Å; I316-V334 HydrophobicContact CD1-CG2 4.23Å; I316-V334 HydrophobicContact CG1-CG2 3.9Å; T332-V334 PolarHBondContact O-N 3.12Å; T332-V334 PolarHBondContact OG1-N 3.39Å; T332-V334 VanDerWaalsContact OG1-N 3.13Å; T332-V334 PolarHBondContact OG1-O 3.05Å; V334-N336 WeakPolarHBondContact CG1-OD1 3.39Å; V334-N336 PolarHBondContact O-N 3.34Å; V334-I337 HydrophobicContact CB-CB 4.17Å; V334-I337 HydrophobicContact CB-CD1 3.98Å; V334-I337 HydrophobicContact CB-CG1 4.07Å; V334-I337 HydrophobicContact CG1-CB 4.43Å; V334-I337 HydrophobicContact CG1-CD1 3.83Å; V334-I337 HydrophobicContact CG1-CG1 3.84Å; V334-I337 HydrophobicContact CG2-CD1 4.41Å; V334-I337 PolarHBondContact O-N 2.85Å; V334-I337 VanDerWaalsContact O-O 3.09Å
335	P	97.4	Very high	98.5	Very high	96 Å²	96	38.1 Å²	38.1	62%	0.623	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.6	-164.2	-29.9	35.5	0	0	0	117	Q331	Q331-P335 PolarHBondContact NE2-O 2.98Å
336	N	98.4	Very high	98.4	Very high	32 Å²	32	37.2 Å²	37.2	17%	0.171	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	6.1	-179.8	73.1	-45.4	0	0	0	113.5	P147 N148 E165 R166 I167 V334	P147-N336 PolarHBondContact O-ND2 2.94Å; N148-N336 PolarHBondContact ND2-ND2 3.41Å; E165-N336 WeakPolarHBondContact O-CB 3.35Å; E165-N336 PolarHBondContact O-ND2 3.43Å; R166-N336 WeakPolarHBondContact CA-O 2.95Å; I167-N336 PolarHBondContact N-O 3.25Å; V334-N336 WeakPolarHBondContact CG1-OD1 3.39Å; V334-N336 PolarHBondContact O-N 3.34Å
337	I	98.8	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.6	171.3	-54.8	-179.2	0	0	0	108.5	I144 I167 I169 V314 I316 T332 V334	I144-I337 HydrophobicContact CD1-CD1 4.46Å; I144-I337 HydrophobicContact CD1-CG2 4.36Å; I144-I337 HydrophobicContact CG2-CD1 4.16Å; I167-I337 HydrophobicContact CB-CG1 4.24Å; I167-I337 HydrophobicContact CB-CG2 4.36Å; I167-I337 HydrophobicContact CD1-CD1 4.45Å; I167-I337 HydrophobicContact CD1-CG1 4.38Å; I167-I337 HydrophobicContact CG2-CG2 4.48Å; I167-I337 CarbonylContact O-C 3.52Å; I167-I337 WeakPolarHBondContact O-CA 3.21Å; I169-I337 HydrophobicContact CD1-CG2 3.7Å; I169-I337 HydrophobicContact CG1-CG2 4.23Å; V314-I337 HydrophobicContact CB-CD1 4.11Å; V314-I337 HydrophobicContact CG1-CD1 4.11Å; V314-I337 HydrophobicContact CG2-CD1 3.87Å; I316-I337 HydrophobicContact CD1-CB 4.22Å; I316-I337 HydrophobicContact CD1-CD1 4.03Å; I316-I337 HydrophobicContact CD1-CG2 3.82Å; T332-I337 WeakPolarHBondContact CB-O 3.46Å; T332-I337 HydrophobicContact CG2-CG2 4.1Å; T332-I337 WeakPolarHBondContact CG2-O 3.5Å; T332-I337 PolarHBondContact N-O 3.21Å; T332-I337 PolarHBondContact OG1-O 3.28Å; V334-I337 HydrophobicContact CB-CB 4.17Å; V334-I337 HydrophobicContact CB-CD1 3.98Å; V334-I337 HydrophobicContact CB-CG1 4.07Å; V334-I337 HydrophobicContact CG1-CB 4.43Å; V334-I337 HydrophobicContact CG1-CD1 3.83Å; V334-I337 HydrophobicContact CG1-CG1 3.84Å; V334-I337 HydrophobicContact CG2-CD1 4.41Å; V334-I337 PolarHBondContact O-N 2.85Å; V334-I337 VanDerWaalsContact O-O 3.09Å
338	Y	98.9	Very high	98.3	Very high	19 Å²	19	37.5 Å²	37.5	8%	0.075	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	159.6	-177.2	-60.2	-106.9	0	0	0	109.9	R166 I167 I169 N329 F330 Q331 M364	R166-Y338 HydrophobicContact CG-CE2 4.49Å; I167-Y338 PolarHBondContact O-N 3.21Å; I169-Y338 WeakPolarHBondContact CB-O 3.17Å; I169-Y338 PolarHBondContact N-O 3.06Å; N329-Y338 WeakPolarHBondContact O-CD1 3.46Å; F330-Y338 HydrophobicContact CB-CD1 4.48Å; F330-Y338 CarbonylContact O-C 3.47Å; F330-Y338 WeakPolarHBondContact O-CA 3.45Å; F330-Y338 WeakPolarHBondContact O-CB 3.33Å; Q331-Y338 HydrophobicContact CB-CD1 4.4Å; Q331-Y338 HydrophobicContact CB-CE1 4.39Å; Q331-Y338 HydrophobicContact CG-CD1 3.6Å; Q331-Y338 HydrophobicContact CG-CE1 3.19Å; Q331-Y338 HydrophobicContact CG-CG 4.44Å; Q331-Y338 PolarHBondContact NE2-OH 3.26Å; Y338-M364 HydrophobicContact CD1-CE 4.04Å; Y338-M364 HydrophobicContact CD2-CE 3.57Å; Y338-M364 HydrophobicContact CD2-SD 4.45Å; Y338-M364 HydrophobicContact CE1-CE 4.38Å; Y338-M364 HydrophobicContact CE1-CG 4Å; Y338-M364 HydrophobicContact CE2-CE 3.99Å; Y338-M364 HydrophobicContact CE2-CG 4.04Å; Y338-M364 HydrophobicContact CE2-SD 4.34Å; Y338-M364 HydrophobicContact CG-CE 3.62Å
339	A	98.9	Very high	98.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.2	173.6	0	0	0	0	0	111.7	I169 I324 V326 F330 T332 I344	I169-A339 HydrophobicContact CB-CB 3.96Å; I169-A339 WeakPolarHBondContact O-CA 3.49Å; I324-A339 HydrophobicContact CB-CB 4.06Å; I324-A339 HydrophobicContact CD1-CB 4.06Å; I324-A339 HydrophobicContact CG2-CB 3.76Å; V326-A339 HydrophobicContact CG1-CB 3.86Å; F330-A339 PolarHBondContact O-N 3.39Å; T332-A339 HydrophobicContact CG2-CB 4.25Å; A339-I344 HydrophobicContact CB-CG2 3.5Å; A339-I344 VanDerWaalsContact CB-CG2 3.5Å
340	I	98.9	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.189	C	C	.	.			trans	-141.4	168.4	-176	60.5	169	0	0	0	112.3	G40 A44 L168 I169 A170 F330 C343 E356 G357 C360	G40-I340 WeakPolarHBondContact O-CD1 3.49Å; A44-I340 HydrophobicContact CB-CD1 4.25Å; L168-I340 HydrophobicContact CD1-CB 4.49Å; L168-I340 HydrophobicContact CD1-CD1 4.19Å; L168-I340 HydrophobicContact CD1-CG1 3.96Å; L168-I340 HydrophobicContact CD1-CG2 3.92Å; L168-I340 HydrophobicContact CD2-CD1 4Å; L168-I340 HydrophobicContact CG-CD1 4.29Å; L168-I340 HydrophobicContact CG-CG1 4.37Å; I169-I340 PolarHBondContact O-N 3.31Å; A170-I340 HydrophobicContact CB-CD1 4.24Å; A170-I340 HydrophobicContact CB-CG1 4Å; F330-I340 HydrophobicContact CB-CG2 4.11Å; F330-I340 HydrophobicContact CD1-CG2 3.99Å; F330-I340 HydrophobicContact CG-CG2 4.02Å; I340-C343 PolarHBondContact O-SG 3.37Å; I340-E356 HydrophobicContact CB-CB 4Å; I340-E356 HydrophobicContact CG2-CB 3.97Å; I340-G357 VanDerWaalsContact CD1-CA 3.46Å; I340-C360 HydrophobicContact CG2-CB 3.95Å
341	G	98.8	Very high	98.4	Very high	5 Å²	5	32.8 Å²	32.8	5%	0.052	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	72.9	-142.4	172.3	0	0	0	0	0	113.6	C343 I344 K352 E356	G341-C343 PolarHBondContact O-N 3.27Å; G341-I344 VanDerWaalsContact O-CG1 3.25Å; G341-I344 WeakPolarHBondContact O-CG1 3.38Å; G341-I344 PolarHBondContact O-N 3.42Å; G341-K352 PolarHBondContact O-NZ 2.87Å; G341-E356 WeakPolarHBondContact CA-OE2 3.42Å; G341-E356 PolarHBondContact N-OE2 2.96Å
342	D	98.8	Very high	98.4	Very high	27 Å²	27	30.7 Å²	30.7	14%	0.144	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-69.2	-12.6	-173.1	-80.2	17.3	0	0	0	114.7	S173 I344 M348	S173-D342 WeakPolarHBondContact CB-OD2 3.47Å; S173-D342 PolarHBondContact OG-OD2 2.92Å; D342-I344 VanDerWaalsContact C-N 3.34Å; D342-M348 HydrophobicContact CB-CE 3.82Å; D342-M348 VanDerWaalsContact OD1-CA 3.28Å; D342-M348 WeakPolarHBondContact OD1-CA 3.46Å
343	C	98.7	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-86.3	-5.3	179.7	73	0	0	0	0	113.6	R323 I324 I340 G341	R323-C343 CarbonylContact C-O 3.56Å; R323-C343 WeakPolarHBondContact CA-O 3.36Å; I324-C343 HydrophobicContact CD1-CB 4.49Å; I324-C343 PolarHBondContact N-O 3.19Å; I340-C343 PolarHBondContact O-SG 3.37Å; G341-C343 PolarHBondContact O-N 3.27Å
344	I	98.8	Very high	98.5	Very high	4 Å²	4	29 Å²	29	2%	0.021	18%	0.175	C	C	.	.	S	Bend	trans	-120	170.5	178.9	68.6	159.9	0	0	0	111.2	I324 V326 F330 A339 G341 D342	I324-I344 HydrophobicContact CB-CG2 4.31Å; I324-I344 WeakPolarHBondContact O-CG2 3.45Å; V326-I344 HydrophobicContact CG1-CG2 4.01Å; V326-I344 HydrophobicContact CG2-CB 4.29Å; V326-I344 HydrophobicContact CG2-CD1 3.85Å; V326-I344 HydrophobicContact CG2-CG2 4.31Å; F330-I344 HydrophobicContact CD1-CD1 3.82Å; F330-I344 HydrophobicContact CE1-CD1 3.99Å; A339-I344 HydrophobicContact CB-CG2 3.5Å; A339-I344 VanDerWaalsContact CB-CG2 3.5Å; G341-I344 VanDerWaalsContact O-CG1 3.25Å; G341-I344 WeakPolarHBondContact O-CG1 3.38Å; G341-I344 PolarHBondContact O-N 3.42Å; D342-I344 VanDerWaalsContact C-N 3.34Å
345	P	98	Very high	98.5	Very high	50 Å²	50	32 Å²	32	33%	0.325	19%	0.19	S	C	.	.	S	Bend	trans	-57.7	154.5	172.6	-25.8	36.5	0	0	0	114.3	K352	P345-K352 PolarHBondContact O-NZ 3.49Å
346	G	97	Very high	98.6	Very high	41 Å²	41	27.5 Å²	27.5	42%	0.423	16%	0.161	S	C	.	.	S	Bend	trans	118.6	-179.6	178.5	0	0	0	0	0	113.5	M348	G346-M348 PolarHBondContact O-N 3.08Å
347	P	97.4	Very high	98.6	Very high	46 Å²	46	26 Å²	26	30%	0.299	15%	0.153	S	C	.	.			trans	-60.5	132.3	173.9	-21.5	33.2	0	0	0	111.5	L349 K352	P347-L349 VanDerWaalsContact C-N 3.29Å; P347-L349 HydrophobicContact CB-CD1 3.81Å; P347-L349 HydrophobicContact CB-CG 4.02Å; P347-L349 PolarHBondContact O-N 2.77Å; P347-K352 VanDerWaalsContact O-CD 3.3Å; P347-K352 WeakPolarHBondContact O-CD 3.06Å; P347-K352 VanDerWaalsContact O-CE 3.31Å; P347-K352 WeakPolarHBondContact O-CE 3.33Å
348	M	98.5	Very high	98.6	Very high	73 Å²	73	28.3 Å²	28.3	36%	0.36	17%	0.165	S	C	.	.			trans	-84.9	72.3	177.1	-63.6	177.2	78.5	0	0	110.1	R302 D342 G346	R302-M348 HydrophobicContact CB-CE 3.63Å; R302-M348 HydrophobicContact CB-SD 4.24Å; D342-M348 HydrophobicContact CB-CE 3.82Å; D342-M348 VanDerWaalsContact OD1-CA 3.28Å; D342-M348 WeakPolarHBondContact OD1-CA 3.46Å; G346-M348 PolarHBondContact O-N 3.08Å
349	L	98.6	Very high	98.6	Very high	44 Å²	44	28.4 Å²	28.4	23%	0.23	17%	0.166	C	C	.	.			trans	-126.5	147.9	-174.2	-63.2	173.9	0	0	0	110.7	P347 K352 A353 V376 P377	P347-L349 VanDerWaalsContact C-N 3.29Å; P347-L349 HydrophobicContact CB-CD1 3.81Å; P347-L349 HydrophobicContact CB-CG 4.02Å; P347-L349 PolarHBondContact O-N 2.77Å; L349-K352 HydrophobicContact CB-CB 4.06Å; L349-K352 PolarHBondContact O-N 3.23Å; L349-A353 PolarHBondContact O-N 3.24Å; L349-A353 VanDerWaalsContact O-N 3.12Å; L349-V376 HydrophobicContact CD1-CG1 3.98Å; L349-P377 WeakPolarHBondContact CD1-O 3.49Å
350	A	98.6	Very high	98.6	Very high	27 Å²	27	28.4 Å²	28.4	22%	0.223	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-52.7	-175.9	0	0	0	0	0	112.2	P39 C68 K352 A353 E354	P39-A350 HydrophobicContact CB-CB 4.16Å; P39-A350 HydrophobicContact CG-CB 3.91Å; C68-A350 HydrophobicContact CB-CB 4.41Å; A350-K352 VanDerWaalsContact C-N 3.33Å; A350-K352 PolarHBondContact O-N 3.19Å; A350-A353 WeakPolarHBondContact O-CA 3.45Å; A350-A353 WeakPolarHBondContact O-CB 3.24Å; A350-A353 PolarHBondContact O-N 2.93Å; A350-E354 WeakPolarHBondContact O-CG 3.19Å; A350-E354 PolarHBondContact O-N 2.79Å
351	H	98.5	Very high	98.6	Very high	61 Å²	61	28.4 Å²	28.4	28%	0.282	17%	0.166	S	C	.	.	H	α-helix	trans	-63.5	-34.9	179.1	50.1	-72.8	0	0	0	112.8	A353 E354 D355 P377	H351-A353 VanDerWaalsContact C-N 3.31Å; H351-A353 PolarHBondContact O-N 2.73Å; H351-E354 PolarHBondContact O-N 3.23Å; H351-D355 PolarHBondContact O-N 3.3Å; H351-P377 PolarHBondContact CE1-O 3.07Å; H351-P377 PolarHBondContact NE2-O 3.16Å
352	K	98.7	Very high	98.6	Very high	1 Å²	1	31 Å²	31	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-56.3	-47.2	168.8	178.4	-84.2	-159	-169	0	110.9	G341 P345 P347 L349 A350 E356 Y373 V376	G341-K352 PolarHBondContact O-NZ 2.87Å; P345-K352 PolarHBondContact O-NZ 3.49Å; P347-K352 VanDerWaalsContact O-CD 3.3Å; P347-K352 WeakPolarHBondContact O-CD 3.06Å; P347-K352 VanDerWaalsContact O-CE 3.31Å; P347-K352 WeakPolarHBondContact O-CE 3.33Å; L349-K352 HydrophobicContact CB-CB 4.06Å; L349-K352 PolarHBondContact O-N 3.23Å; A350-K352 VanDerWaalsContact C-N 3.33Å; A350-K352 PolarHBondContact O-N 3.19Å; K352-E356 VanDerWaalsContact CD-CD 3.47Å; K352-E356 HydrophobicContact CD-CG 4.27Å; K352-E356 WeakPolarHBondContact CD-OE2 3.32Å; K352-E356 WeakPolarHBondContact CE-OE1 3.22Å; K352-E356 WeakPolarHBondContact CE-OE2 3.34Å; K352-E356 IonicContact NZ-OE1 3.07Å; K352-E356 PolarHBondContact NZ-OE1 2.67Å; K352-E356 IonicContact NZ-OE2 3.54Å; K352-E356 PolarHBondContact NZ-OE2 2.85Å; K352-E356 WeakPolarHBondContact O-CB 3.38Å; K352-E356 VanDerWaalsContact O-CG 3.22Å; K352-E356 WeakPolarHBondContact O-CG 3.49Å; K352-E356 PolarHBondContact O-N 3.48Å; K352-E356 VanDerWaalsContact O-N 3.08Å; K352-Y373 HydrophobicContact CG-CE1 4.27Å; K352-V376 HydrophobicContact CB-CG1 4.04Å
353	A	98.9	Very high	98.5	Very high	7 Å²	7	30.8 Å²	30.8	6%	0.058	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-37.5	178.8	0	0	0	0	0	112.5	G40 L349 A350 H351 G357	G40-A353 VanDerWaalsContact CA-C 3.44Å; G40-A353 WeakPolarHBondContact CA-O 3.42Å; L349-A353 PolarHBondContact O-N 3.24Å; L349-A353 VanDerWaalsContact O-N 3.12Å; A350-A353 WeakPolarHBondContact O-CA 3.45Å; A350-A353 WeakPolarHBondContact O-CB 3.24Å; A350-A353 PolarHBondContact O-N 2.93Å; H351-A353 VanDerWaalsContact C-N 3.31Å; H351-A353 PolarHBondContact O-N 2.73Å; A353-G357 PolarHBondContact O-N 3.25Å
354	E	98.9	Very high	98.5	Very high	59 Å²	59	31.4 Å²	31.4	28%	0.276	18%	0.184	S	C	.	.	H	α-helix	trans	-60.8	-52	176	-67	176.9	166.6	0	0	111.3	P39 Y42 V43 A350 H351 G357 I358	P39-E354 HydrophobicContact CB-CG 3.61Å; Y42-E354 PolarHBondContact OH-OE1 2.92Å; V43-E354 HydrophobicContact CB-CG 4.49Å; V43-E354 HydrophobicContact CG1-CB 4.46Å; V43-E354 HydrophobicContact CG2-CB 4.28Å; V43-E354 HydrophobicContact CG2-CG 3.85Å; A350-E354 WeakPolarHBondContact O-CG 3.19Å; A350-E354 PolarHBondContact O-N 2.79Å; H351-E354 PolarHBondContact O-N 3.23Å; E354-G357 WeakPolarHBondContact O-CA 3.46Å; E354-G357 PolarHBondContact O-N 2.95Å; E354-G357 VanDerWaalsContact O-N 3.08Å; E354-I358 PolarHBondContact O-N 2.73Å
355	D	98.7	Very high	98.5	Very high	81 Å²	81	35 Å²	35	43%	0.433	20%	0.203	S	C	.	.	H	α-helix	trans	-62.7	-45.4	180	-78.2	-13.9	0	0	0	111.7	H351 G357 I358 I359 I371	H351-D355 PolarHBondContact O-N 3.3Å; D355-G357 PolarHBondContact O-N 3.07Å; D355-I358 PolarHBondContact O-N 2.9Å; D355-I358 VanDerWaalsContact O-N 3.13Å; D355-I359 VanDerWaalsContact O-CG1 3.3Å; D355-I359 WeakPolarHBondContact O-CG1 3.16Å; D355-I359 PolarHBondContact O-N 3.47Å; D355-I371 HydrophobicContact CB-CD1 4.07Å
356	E	98.9	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.2	-39	173.2	-74	-176.6	161.3	0	0	112.1	F330 I340 G341 K352 C360 I371 Y373	F330-E356 HydrophobicContact CD1-CG 4.48Å; F330-E356 HydrophobicContact CE1-CB 4.01Å; F330-E356 HydrophobicContact CE1-CG 3.54Å; F330-E356 HydrophobicContact CZ-CB 4.11Å; F330-E356 HydrophobicContact CZ-CG 3.67Å; I340-E356 HydrophobicContact CB-CB 4Å; I340-E356 HydrophobicContact CG2-CB 3.97Å; G341-E356 WeakPolarHBondContact CA-OE2 3.42Å; G341-E356 PolarHBondContact N-OE2 2.96Å; K352-E356 VanDerWaalsContact CD-CD 3.47Å; K352-E356 HydrophobicContact CD-CG 4.27Å; K352-E356 WeakPolarHBondContact CD-OE2 3.32Å; K352-E356 WeakPolarHBondContact CE-OE1 3.22Å; K352-E356 WeakPolarHBondContact CE-OE2 3.34Å; K352-E356 IonicContact NZ-OE1 3.07Å; K352-E356 PolarHBondContact NZ-OE1 2.67Å; K352-E356 IonicContact NZ-OE2 3.54Å; K352-E356 PolarHBondContact NZ-OE2 2.85Å; K352-E356 WeakPolarHBondContact O-CB 3.38Å; K352-E356 VanDerWaalsContact O-CG 3.22Å; K352-E356 WeakPolarHBondContact O-CG 3.49Å; K352-E356 PolarHBondContact O-N 3.48Å; K352-E356 VanDerWaalsContact O-N 3.08Å; E356-C360 WeakPolarHBondContact O-CB 3.26Å; E356-C360 PolarHBondContact O-N 3.35Å; E356-I371 HydrophobicContact CG-CD1 4.18Å; E356-Y373 WeakPolarHBondContact OE1-CE1 3.25Å; E356-Y373 PolarHBondContact OE1-OH 2.72Å
357	G	98.9	Very high	98.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-45.3	175.4	0	0	0	0	0	113.3	I340 A353 E354 D355 V361	I340-G357 VanDerWaalsContact CD1-CA 3.46Å; A353-G357 PolarHBondContact O-N 3.25Å; E354-G357 WeakPolarHBondContact O-CA 3.46Å; E354-G357 PolarHBondContact O-N 2.95Å; E354-G357 VanDerWaalsContact O-N 3.08Å; D355-G357 PolarHBondContact O-N 3.07Å; G357-V361 VanDerWaalsContact O-CG2 3.27Å; G357-V361 WeakPolarHBondContact O-CG2 3.17Å; G357-V361 PolarHBondContact O-N 2.76Å
358	I	98.9	Very high	98.5	Very high	49 Å²	49	38 Å²	38	25%	0.251	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-56	179	-65.6	171	0	0	0	110.4	V43 K47 E354 D355 C360 V361 E362	V43-I358 HydrophobicContact CG1-CD1 3.91Å; V43-I358 HydrophobicContact CG1-CG1 3.55Å; K47-I358 HydrophobicContact CD-CG2 4.26Å; K47-I358 HydrophobicContact CG-CG2 4.28Å; E354-I358 PolarHBondContact O-N 2.73Å; D355-I358 PolarHBondContact O-N 2.9Å; D355-I358 VanDerWaalsContact O-N 3.13Å; I358-C360 PolarHBondContact O-N 2.98Å; I358-V361 PolarHBondContact O-N 3.38Å; I358-E362 WeakPolarHBondContact O-CG 3.32Å; I358-E362 PolarHBondContact O-N 2.98Å
359	I	98.6	Very high	98.5	Very high	22 Å²	22	35.9 Å²	35.9	11%	0.113	23%	0.233	C	C	.	.	H	α-helix	trans	-72	-30.4	-172.7	67.8	-174.4	0	0	0	112.3	F330 D355 G363 V369 I371	F330-I359 HydrophobicContact CD2-CG1 4.44Å; F330-I359 HydrophobicContact CE2-CD1 3.61Å; F330-I359 HydrophobicContact CE2-CG1 3.61Å; F330-I359 HydrophobicContact CZ-CD1 3.85Å; F330-I359 HydrophobicContact CZ-CG1 4.25Å; D355-I359 VanDerWaalsContact O-CG1 3.3Å; D355-I359 WeakPolarHBondContact O-CG1 3.16Å; D355-I359 PolarHBondContact O-N 3.47Å; I359-G363 PolarHBondContact O-N 3.04Å; I359-V369 HydrophobicContact CB-CG1 4.24Å; I359-V369 HydrophobicContact CD1-CG1 4.13Å; I359-V369 HydrophobicContact CG1-CG1 3.97Å; I359-I371 HydrophobicContact CD1-CB 3.68Å; I359-I371 HydrophobicContact CD1-CG2 3.81Å
360	C	98.9	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-48.9	173.5	176.7	0	0	0	0	110.2	F330 I340 E356 I358 G363 M364	F330-C360 HydrophobicContact CB-CB 4.13Å; F330-C360 HydrophobicContact CD2-CB 3.76Å; F330-C360 HydrophobicContact CG-CB 4.11Å; I340-C360 HydrophobicContact CG2-CB 3.95Å; E356-C360 WeakPolarHBondContact O-CB 3.26Å; E356-C360 PolarHBondContact O-N 3.35Å; I358-C360 PolarHBondContact O-N 2.98Å; C360-G363 CarbonylContact O-C 3.56Å; C360-G363 WeakPolarHBondContact O-CA 3.43Å; C360-G363 PolarHBondContact O-N 2.86Å; C360-M364 WeakPolarHBondContact O-CG 3.12Å; C360-M364 PolarHBondContact O-N 3.09Å; C360-M364 VanDerWaalsContact SG-CE 3.55Å
361	V	98.8	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-38.3	-179	172.2	0	0	0	0	112.1	A44 K47 A48 L51 L168 G357 I358 G363 M364	A44-V361 HydrophobicContact CB-CG2 3.89Å; K47-V361 HydrophobicContact CG-CG1 4.29Å; A48-V361 HydrophobicContact CB-CG1 3.61Å; A48-V361 HydrophobicContact CB-CG2 4.36Å; L51-V361 HydrophobicContact CD1-CG1 4.04Å; L168-V361 HydrophobicContact CD2-CG2 4.23Å; G357-V361 VanDerWaalsContact O-CG2 3.27Å; G357-V361 WeakPolarHBondContact O-CG2 3.17Å; G357-V361 PolarHBondContact O-N 2.76Å; I358-V361 PolarHBondContact O-N 3.38Å; V361-G363 VanDerWaalsContact C-N 3.31Å; V361-G363 PolarHBondContact O-N 3.22Å; V361-M364 WeakPolarHBondContact O-CB 3.4Å; V361-M364 PolarHBondContact O-N 2.69Å
362	E	98.7	Very high	98.4	Very high	60 Å²	60	40.8 Å²	40.8	28%	0.28	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-42.4	170.5	-71.4	176.6	162	0	0	111.3	K47 L51 I358 M364 L365 G366 G367	K47-E362 WeakPolarHBondContact CE-OE1 3.38Å; K47-E362 IonicContact NZ-OE1 3.93Å; K47-E362 PolarHBondContact NZ-OE1 3.44Å; L51-E362 HydrophobicContact CD1-CG 3.93Å; I358-E362 WeakPolarHBondContact O-CG 3.32Å; I358-E362 PolarHBondContact O-N 2.98Å; E362-M364 VanDerWaalsContact C-N 3.33Å; E362-M364 PolarHBondContact O-N 2.75Å; E362-L365 PolarHBondContact O-N 2.72Å; E362-L365 VanDerWaalsContact O-N 3.11Å; E362-G366 PolarHBondContact O-N 3.05Å; E362-G367 WeakPolarHBondContact O-CA 3.47Å; E362-G367 PolarHBondContact O-N 2.87Å
363	G	98.5	Very high	98.4	Very high	21 Å²	21	45.2 Å²	45.2	22%	0.216	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-35.6	174.3	0	0	0	0	0	114.1	I359 C360 V361 L365 G366 V369	I359-G363 PolarHBondContact O-N 3.04Å; C360-G363 CarbonylContact O-C 3.56Å; C360-G363 WeakPolarHBondContact O-CA 3.43Å; C360-G363 PolarHBondContact O-N 2.86Å; V361-G363 VanDerWaalsContact C-N 3.31Å; V361-G363 PolarHBondContact O-N 3.22Å; G363-L365 PolarHBondContact O-N 2.91Å; G363-L365 VanDerWaalsContact O-N 3.11Å; G363-G366 PolarHBondContact O-N 2.9Å; G363-V369 VanDerWaalsContact CA-CG2 3.47Å
364	M	98.2	Very high	98.3	Very high	13 Å²	13	47.5 Å²	47.5	6%	0.064	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-22.8	174.9	-66.9	-176.9	-168	0	0	113.2	V32 R166 L168 Y338 C360 V361 E362	V32-M364 HydrophobicContact CG2-SD 4.28Å; R166-M364 HydrophobicContact CB-SD 4.36Å; L168-M364 HydrophobicContact CB-CE 4.21Å; L168-M364 HydrophobicContact CD1-CE 4.28Å; L168-M364 HydrophobicContact CD2-CE 4.44Å; Y338-M364 HydrophobicContact CD1-CE 4.04Å; Y338-M364 HydrophobicContact CD2-CE 3.57Å; Y338-M364 HydrophobicContact CD2-SD 4.45Å; Y338-M364 HydrophobicContact CE1-CE 4.38Å; Y338-M364 HydrophobicContact CE1-CG 4Å; Y338-M364 HydrophobicContact CE2-CE 3.99Å; Y338-M364 HydrophobicContact CE2-CG 4.04Å; Y338-M364 HydrophobicContact CE2-SD 4.34Å; Y338-M364 HydrophobicContact CG-CE 3.62Å; C360-M364 WeakPolarHBondContact O-CG 3.12Å; C360-M364 PolarHBondContact O-N 3.09Å; C360-M364 VanDerWaalsContact SG-CE 3.55Å; V361-M364 WeakPolarHBondContact O-CB 3.4Å; V361-M364 PolarHBondContact O-N 2.69Å; E362-M364 VanDerWaalsContact C-N 3.33Å; E362-M364 PolarHBondContact O-N 2.75Å
365	L	97.9	Very high	98.3	Very high	81 Å²	81	44.9 Å²	44.9	42%	0.424	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	13.1	179.8	-63.6	180	0	0	0	113.1	L51 L53 E362 G363	L51-L365 HydrophobicContact CB-CD1 3.45Å; L51-L365 VanDerWaalsContact CB-CD1 3.45Å; L51-L365 HydrophobicContact CD1-CD1 3.81Å; L51-L365 HydrophobicContact CG-CD1 4.2Å; L53-L365 HydrophobicContact CD1-CD1 4.42Å; L53-L365 HydrophobicContact CD1-CD2 4.39Å; L53-L365 HydrophobicContact CD1-CG 4.45Å; L53-L365 HydrophobicContact CD2-CD2 3.94Å; L53-L365 HydrophobicContact CG-CD1 4.36Å; L53-L365 HydrophobicContact CG-CD2 4.39Å; E362-L365 PolarHBondContact O-N 2.72Å; E362-L365 VanDerWaalsContact O-N 3.11Å; G363-L365 PolarHBondContact O-N 2.91Å; G363-L365 VanDerWaalsContact O-N 3.11Å
366	G	97	Very high	98.3	Very high	71 Å²	71	41.9 Å²	41.9	73%	0.732	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	9.2	177.4	0	0	0	0	0	114.9	E362 G363	E362-G366 PolarHBondContact O-N 3.05Å; G363-G366 PolarHBondContact O-N 2.9Å
367	G	97.7	Very high	98.3	Very high	38 Å²	38	42.5 Å²	42.5	39%	0.392	26%	0.258	S	S	.	.			trans	-67.2	163.8	170.1	0	0	0	0	0	112.8	E362	E362-G367 WeakPolarHBondContact O-CA 3.47Å; E362-G367 PolarHBondContact O-N 2.87Å
368	A	97.9	Very high	98.3	Very high	91 Å²	91	43.5 Å²	43.5	75%	0.752	27%	0.265	S	S	*	.			trans	-71.8	141.5	173	0	0	0	0	0	110.6
369	V	98.4	Very high	98.3	Very high	28 Å²	28	42.1 Å²	42.1	17%	0.17	26%	0.259	C	S	.	.			trans	-117.7	112.4	178.1	-172	0	0	0	0	108.8	K328 F330 I359 G363	K328-V369 WeakPolarHBondContact O-CG1 3.36Å; F330-V369 HydrophobicContact CD2-CG1 3.9Å; F330-V369 HydrophobicContact CE2-CG1 3.51Å; I359-V369 HydrophobicContact CB-CG1 4.24Å; I359-V369 HydrophobicContact CD1-CG1 4.13Å; I359-V369 HydrophobicContact CG1-CG1 3.97Å; G363-V369 VanDerWaalsContact CA-CG2 3.47Å
370	H	98.2	Very high	98.3	Very high	145 Å²	145	41.1 Å²	41.1	67%	0.671	25%	0.254	S	S	*	.			trans	-147.4	133.2	178.7	-172.5	81	0	0	0	110.4
371	I	98.2	Very high	98.3	Very high	32 Å²	32	45.4 Å²	45.4	16%	0.164	27%	0.271	C	S	.	.			trans	-144.4	126.2	168.2	-179.3	166.9	0	0	0	107.2	F330 D355 E356 I359 Y373 V376	F330-I371 HydrophobicContact CZ-CG2 4.12Å; D355-I371 HydrophobicContact CB-CD1 4.07Å; E356-I371 HydrophobicContact CG-CD1 4.18Å; I359-I371 HydrophobicContact CD1-CB 3.68Å; I359-I371 HydrophobicContact CD1-CG2 3.81Å; I371-Y373 HydrophobicContact CD1-CD1 4.34Å; I371-Y373 HydrophobicContact CD1-CE1 4.02Å; I371-Y373 HydrophobicContact CG1-CD1 4.44Å; I371-Y373 HydrophobicContact CG1-CE1 4.39Å; I371-Y373 HydrophobicContact CG2-CD2 4.45Å; I371-Y373 HydrophobicContact CG2-CE1 4.04Å; I371-Y373 HydrophobicContact CG2-CE2 3.86Å; I371-Y373 PolarHBondContact O-N 2.87Å; I371-V376 HydrophobicContact CD1-CG2 4.34Å
372	D	98	Very high	98.3	Very high	58 Å²	58	45.6 Å²	45.6	31%	0.31	27%	0.272	S	S	.	.			trans	-89.3	100.6	170.1	-172.1	-4	0	0	0	109.3	N374 C375	D372-N374 PolarHBondContact O-N 2.85Å; D372-N374 VanDerWaalsContact O-N 3.09Å; D372-N374 WeakPolarHBondContact OD1-CB 2.99Å; D372-N374 PolarHBondContact OD1-N 3.14Å; D372-C375 HydrophobicContact CB-CB 4.23Å; D372-C375 PolarHBondContact O-N 2.68Å
373	Y	97.9	Very high	98.2	Very high	93 Å²	93	44.9 Å²	44.9	37%	0.365	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-61	-17.9	177.2	-66.1	-68.8	0	0	0	113.6	K352 E356 I371 C375 V376	K352-Y373 HydrophobicContact CG-CE1 4.27Å; E356-Y373 WeakPolarHBondContact OE1-CE1 3.25Å; E356-Y373 PolarHBondContact OE1-OH 2.72Å; I371-Y373 HydrophobicContact CD1-CD1 4.34Å; I371-Y373 HydrophobicContact CD1-CE1 4.02Å; I371-Y373 HydrophobicContact CG1-CD1 4.44Å; I371-Y373 HydrophobicContact CG1-CE1 4.39Å; I371-Y373 HydrophobicContact CG2-CD2 4.45Å; I371-Y373 HydrophobicContact CG2-CE1 4.04Å; I371-Y373 HydrophobicContact CG2-CE2 3.86Å; I371-Y373 PolarHBondContact O-N 2.87Å; Y373-C375 VanDerWaalsContact C-N 3.29Å; Y373-V376 HydrophobicContact CD1-CG2 4.4Å
374	N	97.8	Very high	98.2	Very high	56 Å²	56	44.1 Å²	44.1	30%	0.299	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-74	-21.5	173.3	-172.5	70.2	0	0	0	112.3	D372 G390	D372-N374 PolarHBondContact O-N 2.85Å; D372-N374 VanDerWaalsContact O-N 3.09Å; D372-N374 WeakPolarHBondContact OD1-CB 2.99Å; D372-N374 PolarHBondContact OD1-N 3.14Å; N374-G390 VanDerWaalsContact O-CA 3.26Å; N374-G390 WeakPolarHBondContact O-CA 3.44Å; N374-G390 PolarHBondContact O-N 3.35Å
375	C	98.5	Very high	98.3	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.027	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-96.8	2.8	177.4	-68.4	0	0	0	0	113.3	D372 Y373 P377 V455 E459	D372-C375 HydrophobicContact CB-CB 4.23Å; D372-C375 PolarHBondContact O-N 2.68Å; Y373-C375 VanDerWaalsContact C-N 3.29Å; C375-P377 VanDerWaalsContact O-CD 3.25Å; C375-P377 WeakPolarHBondContact O-CD 3.38Å; C375-V455 WeakPolarHBondContact O-CG1 3.23Å; C375-E459 HydrophobicContact CB-CG 3.95Å; C375-E459 WeakPolarHBondContact CB-OE1 3.46Å
376	V	98.7	Very high	98.3	Very high	17 Å²	17	41.9 Å²	41.9	10%	0.103	25%	0.247	C	C	.	.			trans	-76.7	112.4	172.9	175.7	0	0	0	0	109.4	L349 K352 I371 Y373	L349-V376 HydrophobicContact CD1-CG1 3.98Å; K352-V376 HydrophobicContact CB-CG1 4.04Å; I371-V376 HydrophobicContact CD1-CG2 4.34Å; Y373-V376 HydrophobicContact CD1-CG2 4.4Å
377	P	98.7	Very high	98.4	Very high	13 Å²	13	38.5 Å²	38.5	8%	0.084	21%	0.212	C	C	.	.			trans	-73.8	155	-177.9	31.6	-36	0	0	0	111.4	L349 H351 C375 W388 V389 I451 V455	L349-P377 WeakPolarHBondContact CD1-O 3.49Å; H351-P377 PolarHBondContact CE1-O 3.07Å; H351-P377 PolarHBondContact NE2-O 3.16Å; C375-P377 VanDerWaalsContact O-CD 3.25Å; C375-P377 WeakPolarHBondContact O-CD 3.38Å; P377-W388 CarbonylContact C-O 3.57Å; P377-W388 WeakPolarHBondContact CA-O 3.45Å; P377-V389 HydrophobicContact CB-CB 4.43Å; P377-I451 HydrophobicContact CB-CG1 3.98Å; P377-I451 HydrophobicContact CB-CG2 4.01Å; P377-V455 HydrophobicContact CB-CG2 3.73Å; P377-V455 HydrophobicContact CG-CG2 3.77Å
378	S	98.8	Very high	98.4	Very high	21 Å²	21	37.7 Å²	37.7	15%	0.147	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144	168.9	-65.3	0	0	0	0	109.7	A387 W388	S378-A387 CarbonylContact O-C 3.38Å; S378-A387 WeakPolarHBondContact O-CA 3.35Å; S378-W388 PolarHBondContact N-O 3.37Å; S378-W388 PolarHBondContact O-N 2.82Å
379	V	98.8	Very high	98.5	Very high	21 Å²	21	33.3 Å²	33.3	13%	0.127	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.7	-177.7	-171.4	0	0	0	0	110.7	Y381 C386 A387 I451	V379-Y381 HydrophobicContact CB-CD2 4.14Å; V379-Y381 HydrophobicContact CB-CE2 3.55Å; V379-Y381 HydrophobicContact CG1-CD1 4.09Å; V379-Y381 HydrophobicContact CG1-CD2 3.72Å; V379-Y381 HydrophobicContact CG1-CE1 3.82Å; V379-Y381 HydrophobicContact CG1-CE2 3.47Å; V379-Y381 VanDerWaalsContact CG1-CE2 3.47Å; V379-Y381 HydrophobicContact CG1-CG 4.08Å; V379-C386 CarbonylContact C-O 3.6Å; V379-C386 WeakPolarHBondContact CA-O 3.5Å; V379-A387 HydrophobicContact CB-CB 4.47Å; V379-A387 HydrophobicContact CG1-CB 4.32Å; V379-A387 HydrophobicContact CG2-CB 4.01Å; V379-I451 HydrophobicContact CG2-CG2 4.15Å
380	I	98.7	Very high	98.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.9	169.8	-47.9	-177.7	0	0	0	107.1	V211 V214 E215 I241 F249 T382 E385 C386 W388	V211-I380 HydrophobicContact CB-CG1 4.45Å; V211-I380 HydrophobicContact CG1-CB 4.47Å; V211-I380 HydrophobicContact CG1-CG1 4.08Å; V211-I380 HydrophobicContact CG1-CG2 4.32Å; V211-I380 HydrophobicContact CG2-CD1 4.09Å; V211-I380 HydrophobicContact CG2-CG1 3.93Å; V214-I380 HydrophobicContact CG2-CG2 3.71Å; E215-I380 HydrophobicContact CG-CG2 4.05Å; I241-I380 HydrophobicContact CD1-CD1 4.43Å; F249-I380 HydrophobicContact CE1-CD1 3.94Å; F249-I380 HydrophobicContact CE1-CG2 4.27Å; F249-I380 HydrophobicContact CZ-CG2 3.95Å; I380-T382 VanDerWaalsContact C-N 3.27Å; I380-T382 HydrophobicContact CG2-CG2 4.07Å; I380-T382 PolarHBondContact O-N 3.02Å; I380-E385 WeakPolarHBondContact O-CA 3.29Å; I380-C386 HydrophobicContact CB-CB 4.2Å; I380-C386 HydrophobicContact CD1-CB 4.47Å; I380-C386 HydrophobicContact CG1-CB 4.48Å; I380-C386 PolarHBondContact N-O 3.22Å; I380-C386 PolarHBondContact O-N 2.81Å; I380-W388 HydrophobicContact CD1-CH2 4.37Å; I380-W388 HydrophobicContact CD1-CZ3 4.03Å; I380-W388 HydrophobicContact CG1-CH2 4.41Å; I380-W388 HydrophobicContact CG1-CZ3 3.99Å
381	Y	98.7	Very high	98.5	Very high	90 Å²	90	27.8 Å²	27.8	35%	0.353	14%	0.136	S	C	.	.			trans	-95.5	35.5	-168.2	-64.8	-101.9	0	0	0	112.7	K77 L80 E215 V379	K77-Y381 HydrophobicContact CD-CD2 4.28Å; K77-Y381 HydrophobicContact CD-CG 4.32Å; K77-Y381 VanDerWaalsContact CE-CE2 3.43Å; K77-Y381 HydrophobicContact CG-CD1 4.29Å; K77-Y381 HydrophobicContact CG-CG 4.2Å; L80-Y381 WeakPolarHBondContact CD1-O 3.4Å; E215-Y381 WeakPolarHBondContact OE1-CD2 2.93Å; E215-Y381 PolarHBondContact OE1-N 3.01Å; V379-Y381 HydrophobicContact CB-CD2 4.14Å; V379-Y381 HydrophobicContact CB-CE2 3.55Å; V379-Y381 HydrophobicContact CG1-CD1 4.09Å; V379-Y381 HydrophobicContact CG1-CD2 3.72Å; V379-Y381 HydrophobicContact CG1-CE1 3.82Å; V379-Y381 HydrophobicContact CG1-CE2 3.47Å; V379-Y381 VanDerWaalsContact CG1-CE2 3.47Å; V379-Y381 HydrophobicContact CG1-CG 4.08Å
382	T	98.6	Very high	98.6	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.025	13%	0.131	C	C	.	.	S	Bend	trans	-67.6	-176.9	166.6	46.7	0	0	0	0	110.4	V214 E215 F249 L253 I380 P384 E385	V214-T382 HydrophobicContact CG2-CG2 4.43Å; E215-T382 HydrophobicContact CG-CG2 4.48Å; F249-T382 HydrophobicContact CE2-CG2 4.23Å; F249-T382 WeakPolarHBondContact CE2-OG1 3.44Å; F249-T382 HydrophobicContact CZ-CG2 3.85Å; F249-T382 WeakPolarHBondContact CZ-OG1 3.33Å; L253-T382 HydrophobicContact CD2-CG2 4.35Å; I380-T382 VanDerWaalsContact C-N 3.27Å; I380-T382 HydrophobicContact CG2-CG2 4.07Å; I380-T382 PolarHBondContact O-N 3.02Å; T382-P384 VanDerWaalsContact C-C 3.47Å; T382-P384 CarbonylContact C-O 3.49Å; T382-P384 WeakPolarHBondContact CB-O 3.01Å; T382-P384 CarbonylContact O-C 3.53Å; T382-P384 PolarHBondContact OG1-O 2.76Å; T382-E385 WeakPolarHBondContact O-CA 3.44Å; T382-E385 WeakPolarHBondContact O-CG 3.34Å; T382-E385 PolarHBondContact O-N 2.99Å
383	H	97.9	Very high	98.6	Very high	46 Å²	46	25.3 Å²	25.3	21%	0.213	12%	0.123	C	C	.	.	S	Bend	trans	-125	111	171	-169.6	92.6	0	0	0	107.6	H84 R222 Q256 E421	H84-H383 AromaticContact CE1-CD2 3.5Å; H84-H383 AromaticContact CE1-CE1 3.36Å; H84-H383 PolarHBondContact CE1-CE1 3.22Å; H84-H383 AromaticContact CE1-CG 3.45Å; H84-H383 VanDerWaalsContact CE1-CG 3.45Å; H84-H383 AromaticContact CE1-ND1 3.37Å; H84-H383 PolarHBondContact CE1-ND1 3.36Å; H84-H383 AromaticContact CE1-NE2 3.46Å; H84-H383 PolarHBondContact CE1-NE2 3.41Å; H84-H383 AromaticContact ND1-CD2 3.96Å; H84-H383 AromaticContact ND1-CG 3.68Å; H84-H383 AromaticContact ND1-ND1 3.92Å; H84-H383 AromaticContact NE2-CE1 3.44Å; H84-H383 PolarHBondContact NE2-CE1 2.94Å; H84-H383 AromaticContact NE2-CG 4Å; H84-H383 AromaticContact NE2-ND1 3.46Å; H84-H383 PolarHBondContact NE2-ND1 3.19Å; H84-H383 AromaticContact NE2-NE2 3.99Å; R222-H383 VanDerWaalsContact NH2-CB 3.26Å; Q256-H383 PolarHBondContact NE2-O 2.97Å; Q256-H383 PolarHBondContact OE1-O 3.37Å; H383-E421 IonicContact CE1-OE1 3.41Å; H383-E421 PolarHBondContact CE1-OE1 3.2Å; H383-E421 IonicContact NE2-OE1 3.92Å
384	P	98.5	Very high	98.6	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.032	12%	0.12	C	C	.	.	S	Bend	cis	-65.3	159.9	-1	30.7	-35.8	0	0	0	112.6	I252 T382 D423 L443	I252-P384 HydrophobicContact CD1-CG 4.06Å; I252-P384 HydrophobicContact CG2-CG 4.11Å; T382-P384 VanDerWaalsContact C-C 3.47Å; T382-P384 CarbonylContact C-O 3.49Å; T382-P384 WeakPolarHBondContact CB-O 3.01Å; T382-P384 CarbonylContact O-C 3.53Å; T382-P384 PolarHBondContact OG1-O 2.76Å; P384-D423 HydrophobicContact CG-CB 4.24Å; P384-L443 HydrophobicContact CG-CD1 3.97Å
385	E	98.8	Very high	98.6	Very high	47 Å²	47	24.8 Å²	24.8	22%	0.22	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	155.7	171.3	-66.2	-179.4	164.5	0	0	109.7	I380 T382 L443 G444 A447 G448	I380-E385 WeakPolarHBondContact O-CA 3.29Å; T382-E385 WeakPolarHBondContact O-CA 3.44Å; T382-E385 WeakPolarHBondContact O-CG 3.34Å; T382-E385 PolarHBondContact O-N 2.99Å; E385-L443 WeakPolarHBondContact O-CA 3.4Å; E385-G444 PolarHBondContact N-O 3.4Å; E385-G444 PolarHBondContact O-N 2.92Å; E385-A447 HydrophobicContact CB-CB 3.81Å; E385-A447 PolarHBondContact OE2-N 3.37Å; E385-G448 PolarHBondContact OE2-N 2.82Å
386	C	98.8	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.7	171.5	179.4	0	0	0	0	109.1	I245 V379 I380 L442 L443	I245-C386 WeakPolarHBondContact CG2-SG 3.18Å; V379-C386 CarbonylContact C-O 3.6Å; V379-C386 WeakPolarHBondContact CA-O 3.5Å; I380-C386 HydrophobicContact CB-CB 4.2Å; I380-C386 HydrophobicContact CD1-CB 4.47Å; I380-C386 HydrophobicContact CG1-CB 4.48Å; I380-C386 PolarHBondContact N-O 3.22Å; I380-C386 PolarHBondContact O-N 2.81Å; C386-L442 CarbonylContact C-O 3.32Å; C386-L442 VanDerWaalsContact CA-O 3.3Å; C386-L442 WeakPolarHBondContact CA-O 3.48Å; C386-L443 HydrophobicContact CB-CD1 4.05Å
387	A	98.9	Very high	98.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.5	-179.2	0	0	0	0	0	111.5	S378 V379 L442 A447 I451	S378-A387 CarbonylContact O-C 3.38Å; S378-A387 WeakPolarHBondContact O-CA 3.35Å; V379-A387 HydrophobicContact CB-CB 4.47Å; V379-A387 HydrophobicContact CG1-CB 4.32Å; V379-A387 HydrophobicContact CG2-CB 4.01Å; A387-L442 PolarHBondContact N-O 3.06Å; A387-L442 PolarHBondContact O-N 3.41Å; A387-A447 HydrophobicContact CB-CB 4.04Å; A387-A447 VanDerWaalsContact CB-O 3.29Å; A387-A447 WeakPolarHBondContact CB-O 3.49Å; A387-I451 HydrophobicContact CB-CB 3.72Å; A387-I451 HydrophobicContact CB-CD1 4.33Å; A387-I451 HydrophobicContact CB-CG1 4.01Å; A387-I451 HydrophobicContact CB-CG2 4Å
388	W	98.9	Very high	98.6	Very high	20 Å²	20	31.8 Å²	31.8	8%	0.076	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	157.3	176.4	67.8	93.4	0	0	0	112.8	I241 P377 S378 I380 V440 H441	I241-W388 HydrophobicContact CB-CH2 4.17Å; I241-W388 HydrophobicContact CB-CZ2 4.34Å; I241-W388 HydrophobicContact CB-CZ3 4.28Å; I241-W388 HydrophobicContact CD1-CZ3 4.39Å; I241-W388 HydrophobicContact CG1-CE3 4.36Å; I241-W388 HydrophobicContact CG1-CZ3 4.25Å; P377-W388 CarbonylContact C-O 3.57Å; P377-W388 WeakPolarHBondContact CA-O 3.45Å; S378-W388 PolarHBondContact N-O 3.37Å; S378-W388 PolarHBondContact O-N 2.82Å; I380-W388 HydrophobicContact CD1-CH2 4.37Å; I380-W388 HydrophobicContact CD1-CZ3 4.03Å; I380-W388 HydrophobicContact CG1-CH2 4.41Å; I380-W388 HydrophobicContact CG1-CZ3 3.99Å; W388-V440 VanDerWaalsContact CA-O 3.24Å; W388-V440 WeakPolarHBondContact CA-O 3.46Å; W388-H441 HydrophobicContact CB-CB 4.33Å; W388-H441 WeakPolarHBondContact CB-ND1 3.33Å
389	V	98.8	Very high	98.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	150.2	172.5	64.6	0	0	0	0	109	P377 G439 V440 I451 A454 V455 M458	P377-V389 HydrophobicContact CB-CB 4.43Å; V389-G439 CarbonylContact O-C 3.53Å; V389-G439 VanDerWaalsContact O-CA 3.23Å; V389-G439 WeakPolarHBondContact O-CA 3.3Å; V389-V440 HydrophobicContact CG1-CB 4.31Å; V389-V440 PolarHBondContact N-O 3.13Å; V389-V440 PolarHBondContact O-N 3.41Å; V389-I451 HydrophobicContact CB-CD1 4.23Å; V389-I451 HydrophobicContact CB-CG1 4.25Å; V389-I451 HydrophobicContact CG1-CD1 3.8Å; V389-I451 HydrophobicContact CG1-CG1 4.19Å; V389-A454 HydrophobicContact CG1-CB 3.81Å; V389-V455 HydrophobicContact CB-CG2 4.13Å; V389-V455 HydrophobicContact CG1-CG2 4.31Å; V389-V455 HydrophobicContact CG2-CG2 3.88Å; V389-M458 HydrophobicContact CG1-SD 3.81Å; V389-M458 HydrophobicContact CG2-SD 4.27Å
390	G	98.7	Very high	98.5	Very high	13 Å²	13	41.3 Å²	41.3	13%	0.134	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.7	-160.8	-178.2	0	0	0	0	0	114.5	N374	N374-G390 VanDerWaalsContact O-CA 3.26Å; N374-G390 WeakPolarHBondContact O-CA 3.44Å; N374-G390 PolarHBondContact O-N 3.35Å
391	K	98.6	Very high	98.5	Very high	43 Å²	43	42.9 Å²	42.9	19%	0.187	22%	0.218	C	C	.	.			trans	-76.8	141.1	-179.3	-65.3	-175.9	179.8	-68	0	111.3	Q395 E399 I401 L429 L438 H441	K391-Q395 VanDerWaalsContact CA-OE1 3.29Å; K391-Q395 HydrophobicContact CB-CB 4.26Å; K391-E399 VanDerWaalsContact CE-OE2 3.24Å; K391-E399 WeakPolarHBondContact CE-OE2 3.16Å; K391-E399 IonicContact NZ-OE1 2.87Å; K391-E399 PolarHBondContact NZ-OE1 3.36Å; K391-E399 IonicContact NZ-OE2 3.32Å; K391-E399 PolarHBondContact NZ-OE2 3.47Å; K391-I401 HydrophobicContact CD-CD1 3.65Å; K391-L429 WeakPolarHBondContact O-CD1 3.21Å; K391-L438 PolarHBondContact N-O 2.79Å; K391-H441 PolarHBondContact O-CE1 3.36Å; K391-H441 PolarHBondContact O-NE2 2.88Å
392	N	98.6	Very high	98.5	Very high	11 Å²	11	41 Å²	41	6%	0.059	22%	0.216	C	C	.	.			trans	-83.3	168.4	164.2	64.1	38.2	0	0	0	112	G240 D242 E394 Q395 C396 H441	G240-N392 PolarHBondContact O-ND2 3.34Å; D242-N392 HydrophobicContact CB-CB 3.93Å; N392-E394 PolarHBondContact O-N 2.75Å; N392-E394 WeakPolarHBondContact OD1-CB 3.42Å; N392-E394 PolarHBondContact OD1-N 2.86Å; N392-Q395 PolarHBondContact O-N 3.23Å; N392-Q395 WeakPolarHBondContact OD1-CB 3.41Å; N392-Q395 VanDerWaalsContact OD1-CG 3.23Å; N392-Q395 WeakPolarHBondContact OD1-CG 3.28Å; N392-Q395 PolarHBondContact OD1-N 3.46Å; N392-Q395 PolarHBondContact OD1-OE1 2.8Å; N392-C396 PolarHBondContact O-N 3.37Å; N392-C396 VanDerWaalsContact O-N 3.08Å; N392-H441 VanDerWaalsContact CA-CE1 3.46Å; N392-H441 WeakPolarHBondContact CA-CE1 3.43Å
393	E	98.5	Very high	98.5	Very high	28 Å²	28	42.8 Å²	42.8	13%	0.131	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-33.9	-177.2	-165.8	179.1	152.6	0	0	112.1	D242 C396 K397 Y403 K427 L429	D242-E393 VanDerWaalsContact OD2-CB 3.29Å; D242-E393 WeakPolarHBondContact OD2-CB 3.49Å; D242-E393 PolarHBondContact OD2-N 3Å; E393-C396 PolarHBondContact O-N 2.92Å; E393-K397 WeakPolarHBondContact O-CG 3.49Å; E393-K397 PolarHBondContact O-N 2.82Å; E393-K397 WeakPolarHBondContact OE1-CE 3.15Å; E393-K397 IonicContact OE1-NZ 2.65Å; E393-K397 PolarHBondContact OE1-NZ 2.92Å; E393-Y403 HydrophobicContact CG-CE1 4.45Å; E393-Y403 HydrophobicContact CG-CE2 3.52Å; E393-Y403 VanDerWaalsContact CG-CZ 3.49Å; E393-Y403 VanDerWaalsContact CG-OH 3.23Å; E393-Y403 WeakPolarHBondContact CG-OH 3.44Å; E393-Y403 PolarHBondContact OE1-OH 2.9Å; E393-K427 WeakPolarHBondContact OE2-CE 3.39Å; E393-K427 IonicContact OE2-NZ 2.74Å; E393-K427 PolarHBondContact OE2-NZ 2.91Å; E393-L429 HydrophobicContact CB-CD1 4.2Å
394	E	98.4	Very high	98.5	Very high	63 Å²	63	43 Å²	43	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-65.4	-40.1	177.6	-69.3	63.6	-127.9	0	0	112.2	M243 N392 K397 A398	M243-E394 HydrophobicContact CB-CG 4.48Å; M243-E394 WeakPolarHBondContact CB-OE1 3.47Å; M243-E394 HydrophobicContact CG-CG 3.69Å; M243-E394 WeakPolarHBondContact CG-OE2 3.45Å; M243-E394 PolarHBondContact N-OE2 3.21Å; M243-E394 VanDerWaalsContact N-OE2 3.1Å; N392-E394 PolarHBondContact O-N 2.75Å; N392-E394 WeakPolarHBondContact OD1-CB 3.42Å; N392-E394 PolarHBondContact OD1-N 2.86Å; E394-K397 PolarHBondContact O-N 2.98Å; E394-A398 WeakPolarHBondContact O-CB 3.45Å; E394-A398 PolarHBondContact O-N 3.04Å
395	Q	98.3	Very high	98.5	Very high	74 Å²	74	45.1 Å²	45.1	35%	0.346	24%	0.236	S	C	.	.	H	α-helix	trans	-66.7	-44.2	174.6	-75.4	166.8	-31.5	0	0	111	K391 N392 K397 A398 E399	K391-Q395 VanDerWaalsContact CA-OE1 3.29Å; K391-Q395 HydrophobicContact CB-CB 4.26Å; N392-Q395 PolarHBondContact O-N 3.23Å; N392-Q395 WeakPolarHBondContact OD1-CB 3.41Å; N392-Q395 VanDerWaalsContact OD1-CG 3.23Å; N392-Q395 WeakPolarHBondContact OD1-CG 3.28Å; N392-Q395 PolarHBondContact OD1-N 3.46Å; N392-Q395 PolarHBondContact OD1-OE1 2.8Å; Q395-K397 VanDerWaalsContact C-N 3.29Å; Q395-K397 PolarHBondContact O-N 3.44Å; Q395-A398 PolarHBondContact O-N 3.32Å; Q395-E399 WeakPolarHBondContact O-CB 3.24Å; Q395-E399 WeakPolarHBondContact O-CG 3.3Å; Q395-E399 PolarHBondContact O-N 3.31Å
396	C	98.5	Very high	98.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-42.1	174.6	-68.4	0	0	0	0	111.9	N392 E393 N400 I401 Y403	N392-C396 PolarHBondContact O-N 3.37Å; N392-C396 VanDerWaalsContact O-N 3.08Å; E393-C396 PolarHBondContact O-N 2.92Å; C396-N400 PolarHBondContact O-N 3.46Å; C396-I401 HydrophobicContact CB-CB 4.48Å; C396-I401 PolarHBondContact O-N 3.02Å; C396-Y403 HydrophobicContact CB-CD1 3.51Å; C396-Y403 HydrophobicContact CB-CE1 3.96Å; C396-Y403 HydrophobicContact CB-CG 3.99Å
397	K	98.5	Very high	98.5	Very high	102 Å²	102	46.4 Å²	46.4	44%	0.443	24%	0.241	S	C	.	.	H	α-helix	trans	-64.4	-49	174.7	-72.1	169.4	-172.6	158.8	0	112.1	E393 E394 Q395 E399 N400 Y403	E393-K397 WeakPolarHBondContact O-CG 3.49Å; E393-K397 PolarHBondContact O-N 2.82Å; E393-K397 WeakPolarHBondContact OE1-CE 3.15Å; E393-K397 IonicContact OE1-NZ 2.65Å; E393-K397 PolarHBondContact OE1-NZ 2.92Å; E394-K397 PolarHBondContact O-N 2.98Å; Q395-K397 VanDerWaalsContact C-N 3.29Å; Q395-K397 PolarHBondContact O-N 3.44Å; K397-E399 VanDerWaalsContact C-N 3.28Å; K397-E399 PolarHBondContact O-N 3.46Å; K397-N400 PolarHBondContact O-N 3.36Å; K397-N400 VanDerWaalsContact O-N 3.13Å; K397-Y403 WeakPolarHBondContact CE-OH 3.23Å; K397-Y403 HydrophobicContact CG-CE1 4.07Å
398	A	98.2	Very high	98.5	Very high	79 Å²	79	46.6 Å²	46.6	65%	0.653	24%	0.241	S	C	*	.	H	α-helix	trans	-62.9	-35.3	-177.8	0	0	0	0	0	112.6	E394 Q395 N400	E394-A398 WeakPolarHBondContact O-CB 3.45Å; E394-A398 PolarHBondContact O-N 3.04Å; Q395-A398 PolarHBondContact O-N 3.32Å; A398-N400 VanDerWaalsContact C-N 3.33Å
399	E	98.2	Very high	98.5	Very high	98 Å²	98	46.7 Å²	46.7	46%	0.458	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	1.8	178.2	-64.9	175.2	-139.8	0	0	113.3	K391 Q395 K397 I401	K391-E399 VanDerWaalsContact CE-OE2 3.24Å; K391-E399 WeakPolarHBondContact CE-OE2 3.16Å; K391-E399 IonicContact NZ-OE1 2.87Å; K391-E399 PolarHBondContact NZ-OE1 3.36Å; K391-E399 IonicContact NZ-OE2 3.32Å; K391-E399 PolarHBondContact NZ-OE2 3.47Å; Q395-E399 WeakPolarHBondContact O-CB 3.24Å; Q395-E399 WeakPolarHBondContact O-CG 3.3Å; Q395-E399 PolarHBondContact O-N 3.31Å; K397-E399 VanDerWaalsContact C-N 3.28Å; K397-E399 PolarHBondContact O-N 3.46Å; E399-I401 HydrophobicContact CB-CD1 3.89Å; E399-I401 HydrophobicContact CB-CG1 3.89Å; E399-I401 PolarHBondContact O-N 3.07Å; E399-I401 WeakPolarHBondContact OE2-CD1 3.37Å
400	N	98.2	Very high	98.5	Very high	144 Å²	144	46.7 Å²	46.7	77%	0.77	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	33.8	-176.2	-57.3	-72.5	0	0	0	113.9	C396 K397 A398	C396-N400 PolarHBondContact O-N 3.46Å; K397-N400 PolarHBondContact O-N 3.36Å; K397-N400 VanDerWaalsContact O-N 3.13Å; A398-N400 VanDerWaalsContact C-N 3.33Å
401	I	98.4	Very high	98.4	Very high	34 Å²	34	48.9 Å²	48.9	17%	0.174	26%	0.258	C	S	.	.			trans	-77.8	126.3	177.3	-62.3	169.9	0	0	0	108.3	K391 C396 E399 Y403 L438	K391-I401 HydrophobicContact CD-CD1 3.65Å; C396-I401 HydrophobicContact CB-CB 4.48Å; C396-I401 PolarHBondContact O-N 3.02Å; E399-I401 HydrophobicContact CB-CD1 3.89Å; E399-I401 HydrophobicContact CB-CG1 3.89Å; E399-I401 PolarHBondContact O-N 3.07Å; E399-I401 WeakPolarHBondContact OE2-CD1 3.37Å; I401-Y403 WeakPolarHBondContact O-CD1 3.43Å; I401-Y403 PolarHBondContact O-N 3.36Å; I401-Y403 VanDerWaalsContact O-N 3.16Å; I401-L438 HydrophobicContact CG2-CD1 3.68Å; I401-L438 HydrophobicContact CG2-CD2 4.47Å
402	P	98.4	Very high	98.4	Very high	49 Å²	49	47.6 Å²	47.6	32%	0.318	26%	0.256	S	S	.	.			trans	-72.1	111	175.1	29.2	-32.8	0	0	0	109.9	K432	P402-K432 HydrophobicContact CB-CB 4.2Å; P402-K432 HydrophobicContact CB-CD 4.01Å; P402-K432 HydrophobicContact CB-CG 4.21Å; P402-K432 PolarHBondContact O-N 2.81Å
403	Y	98.6	Very high	98.4	Very high	42 Å²	42	47.3 Å²	47.3	17%	0.165	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	153.7	-178.5	72	-82.1	0	0	0	113.2	E393 C396 K397 I401 V405 L429 A430 K432	E393-Y403 HydrophobicContact CG-CE1 4.45Å; E393-Y403 HydrophobicContact CG-CE2 3.52Å; E393-Y403 VanDerWaalsContact CG-CZ 3.49Å; E393-Y403 VanDerWaalsContact CG-OH 3.23Å; E393-Y403 WeakPolarHBondContact CG-OH 3.44Å; E393-Y403 PolarHBondContact OE1-OH 2.9Å; C396-Y403 HydrophobicContact CB-CD1 3.51Å; C396-Y403 HydrophobicContact CB-CE1 3.96Å; C396-Y403 HydrophobicContact CB-CG 3.99Å; K397-Y403 WeakPolarHBondContact CE-OH 3.23Å; K397-Y403 HydrophobicContact CG-CE1 4.07Å; I401-Y403 WeakPolarHBondContact O-CD1 3.43Å; I401-Y403 PolarHBondContact O-N 3.36Å; I401-Y403 VanDerWaalsContact O-N 3.16Å; Y403-V405 HydrophobicContact CD2-CG2 3.7Å; Y403-V405 HydrophobicContact CE2-CG2 3.43Å; Y403-V405 VanDerWaalsContact CE2-CG2 3.43Å; Y403-L429 HydrophobicContact CD2-CD2 4.05Å; Y403-L429 HydrophobicContact CE2-CD2 4.35Å; Y403-A430 CarbonylContact C-O 3.56Å; Y403-A430 WeakPolarHBondContact CA-O 3.47Å; Y403-K432 VanDerWaalsContact C-CG 3.48Å; Y403-K432 WeakPolarHBondContact O-CE 3.33Å
404	K	98.4	Very high	98.4	Very high	51 Å²	51	48.3 Å²	48.3	22%	0.222	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	155.4	167.4	61	-169	-175	170.2	0	109.6	L429 A430 K432 D435 A488 F489	K404-L429 WeakPolarHBondContact O-CA 3.5Å; K404-A430 HydrophobicContact CG-CB 4.02Å; K404-A430 PolarHBondContact N-O 3.39Å; K404-A430 PolarHBondContact O-N 3.43Å; K404-K432 HydrophobicContact CB-CG 4.39Å; K404-D435 WeakPolarHBondContact CE-OD1 3.43Å; K404-D435 IonicContact NZ-OD1 2.77Å; K404-D435 PolarHBondContact NZ-OD1 3.18Å; K404-A488 WeakPolarHBondContact CD-O 3.33Å; K404-A488 WeakPolarHBondContact CE-O 3.44Å; K404-A488 WeakPolarHBondContact CG-O 3.27Å; K404-A488 PolarHBondContact NZ-O 3.29Å; K404-F489 PolarHBondContact NZ-O 2.8Å
405	V	98.7	Very high	98.4	Very high	50 Å²	50	50.4 Å²	50.4	30%	0.303	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.8	-171.6	-172.6	0	0	0	0	109.1	Y403 K407 K427 A428 L429	Y403-V405 HydrophobicContact CD2-CG2 3.7Å; Y403-V405 HydrophobicContact CE2-CG2 3.43Å; Y403-V405 VanDerWaalsContact CE2-CG2 3.43Å; V405-K407 HydrophobicContact CG1-CD 4.43Å; V405-K407 HydrophobicContact CG1-CG 4.06Å; V405-K427 HydrophobicContact CG1-CG 4.13Å; V405-A428 WeakPolarHBondContact CA-O 3.4Å; V405-L429 HydrophobicContact CB-CD2 4.29Å; V405-L429 HydrophobicContact CG1-CD2 4.07Å; V405-L429 HydrophobicContact CG2-CD2 3.74Å
406	G	98.6	Very high	98.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.7	167.8	0	0	0	0	0	110.9	K427 A428 S484 S487 A488	G406-K427 CarbonylContact O-C 3.48Å; G406-K427 WeakPolarHBondContact O-CA 2.82Å; G406-A428 PolarHBondContact N-O 3.34Å; G406-A428 PolarHBondContact O-N 2.83Å; G406-S484 CarbonylContact C-O 3.55Å; G406-S484 VanDerWaalsContact CA-O 3.28Å; G406-S484 WeakPolarHBondContact CA-O 3.5Å; G406-S487 WeakPolarHBondContact CA-OG 3.47Å; G406-A488 VanDerWaalsContact CA-N 3.33Å
407	K	98.6	Very high	98.4	Very high	74 Å²	74	52.8 Å²	52.8	32%	0.322	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.4	-177	-60.9	177.4	-170	176	0	110.6	E244 V405 F426 K427 S487	E244-K407 WeakPolarHBondContact OE1-CE 3.04Å; E244-K407 IonicContact OE1-NZ 3.44Å; E244-K407 PolarHBondContact OE1-NZ 3.31Å; E244-K407 WeakPolarHBondContact OE2-CE 3.45Å; E244-K407 IonicContact OE2-NZ 3.94Å; E244-K407 PolarHBondContact OE2-NZ 3.47Å; V405-K407 HydrophobicContact CG1-CD 4.43Å; V405-K407 HydrophobicContact CG1-CG 4.06Å; K407-F426 CarbonylContact C-O 3.54Å; K407-F426 VanDerWaalsContact CA-O 3.27Å; K407-F426 WeakPolarHBondContact CA-O 3.48Å; K407-K427 HydrophobicContact CG-CB 4.45Å; K407-K427 HydrophobicContact CG-CG 4.29Å; K407-S487 PolarHBondContact N-OG 2.64Å
408	F	98.7	Very high	98.3	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.013	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	120.6	172.2	-167.4	-97.4	0	0	0	110.8	A412 N413 L425 F426 A480 E483 A493 N495 F496	F408-A412 HydrophobicContact CE1-CB 3.81Å; F408-A412 HydrophobicContact CE2-CB 3.94Å; F408-A412 HydrophobicContact CZ-CB 3.44Å; F408-A412 VanDerWaalsContact CZ-CB 3.44Å; F408-N413 HydrophobicContact CE1-CB 4.06Å; F408-L425 WeakPolarHBondContact O-CA 3.49Å; F408-F426 PolarHBondContact N-O 3.02Å; F408-F426 PolarHBondContact O-N 2.79Å; F408-A480 HydrophobicContact CD1-CB 3.6Å; F408-A480 HydrophobicContact CE1-CB 4.17Å; F408-E483 HydrophobicContact CB-CB 3.97Å; F408-E483 HydrophobicContact CD1-CB 4.12Å; F408-E483 HydrophobicContact CD2-CB 3.29Å; F408-E483 HydrophobicContact CD2-CG 3.94Å; F408-E483 HydrophobicContact CE1-CB 4.42Å; F408-E483 HydrophobicContact CE1-CG 4.45Å; F408-E483 HydrophobicContact CE2-CB 3.65Å; F408-E483 HydrophobicContact CE2-CG 3.73Å; F408-E483 HydrophobicContact CG-CB 3.52Å; F408-E483 HydrophobicContact CG-CG 4.36Å; F408-E483 HydrophobicContact CZ-CB 4.2Å; F408-E483 HydrophobicContact CZ-CG 4Å; F408-A493 HydrophobicContact CD2-CB 3.84Å; F408-A493 HydrophobicContact CE2-CB 4.17Å; F408-N495 HydrophobicContact CE2-CB 3.87Å; F408-N495 HydrophobicContact CZ-CB 3.81Å; F408-F496 HydrophobicContact CD2-CB 3.79Å; F408-F496 HydrophobicContact CE2-CB 3.6Å
409	P	98.4	Very high	98.3	Very high	22 Å²	22	52.1 Å²	52.1	14%	0.143	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	145.9	-179	31.5	-33.9	0	0	0	111.8	S411 A412 F496	P409-S411 PolarHBondContact O-N 3.03Å; P409-A412 HydrophobicContact CG-CB 3.99Å; P409-A412 PolarHBondContact O-N 3.17Å; P409-F496 HydrophobicContact CG-CD1 4.07Å; P409-F496 HydrophobicContact CG-CD2 3.54Å; P409-F496 HydrophobicContact CG-CE1 4.04Å; P409-F496 HydrophobicContact CG-CE2 3.52Å; P409-F496 HydrophobicContact CG-CG 3.83Å; P409-F496 HydrophobicContact CG-CZ 3.78Å
410	M	98.5	Very high	98.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-64.3	-25.5	176.9	-67	-54.5	100	0	0	112.3	A412 N413 A416 T422 G424 F426 V477 A480	M410-A412 PolarHBondContact O-N 3.49Å; M410-A412 VanDerWaalsContact O-N 3.09Å; M410-N413 PolarHBondContact O-N 3.47Å; M410-N413 VanDerWaalsContact O-N 3.07Å; M410-A416 HydrophobicContact CB-CB 4.3Å; M410-A416 WeakPolarHBondContact O-CB 3.44Å; M410-T422 WeakPolarHBondContact CB-O 3.38Å; M410-G424 PolarHBondContact N-O 2.89Å; M410-F426 HydrophobicContact CE-CB 4.14Å; M410-F426 HydrophobicContact CE-CD1 3.47Å; M410-F426 VanDerWaalsContact CE-CD1 3.47Å; M410-F426 HydrophobicContact CE-CD2 3.98Å; M410-F426 HydrophobicContact CE-CE1 3.78Å; M410-F426 HydrophobicContact CE-CE2 4.27Å; M410-F426 HydrophobicContact CE-CG 3.57Å; M410-F426 HydrophobicContact CE-CZ 4.18Å; M410-F426 HydrophobicContact SD-CD1 4.21Å; M410-F426 HydrophobicContact SD-CE1 3.91Å; M410-F426 HydrophobicContact SD-CZ 4.15Å; M410-V477 HydrophobicContact SD-CG1 4.16Å; M410-A480 HydrophobicContact CE-CB 3.32Å; M410-A480 HydrophobicContact SD-CB 4.23Å
411	S	97.8	Very high	98	Very high	60 Å²	60	47.4 Å²	47.4	42%	0.42	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-63.4	-10.3	171	67.1	0	0	0	0	114.2	P409 K417 T422	P409-S411 PolarHBondContact O-N 3.03Å; S411-K417 WeakPolarHBondContact O-CE 3.29Å; S411-K417 PolarHBondContact O-NZ 3.41Å; S411-T422 PolarHBondContact N-O 3.35Å
412	A	98.2	Very high	98	Very high	16 Å²	16	48.2 Å²	48.2	13%	0.132	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-104.7	-10	173.8	0	0	0	0	0	113.2	F408 P409 M410 F496	F408-A412 HydrophobicContact CE1-CB 3.81Å; F408-A412 HydrophobicContact CE2-CB 3.94Å; F408-A412 HydrophobicContact CZ-CB 3.44Å; F408-A412 VanDerWaalsContact CZ-CB 3.44Å; P409-A412 HydrophobicContact CG-CB 3.99Å; P409-A412 PolarHBondContact O-N 3.17Å; M410-A412 PolarHBondContact O-N 3.49Å; M410-A412 VanDerWaalsContact O-N 3.09Å; A412-F496 HydrophobicContact CB-CB 4.15Å; A412-F496 HydrophobicContact CB-CD2 4.16Å; A412-F496 HydrophobicContact CB-CG 4.49Å
413	N	98.6	Very high	98	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	26%	0.255	C	S	.	.			trans	-80.4	129.9	177.6	179.2	-90	0	0	0	111	F408 M410 R415 A416 K417 T476	F408-N413 HydrophobicContact CE1-CB 4.06Å; M410-N413 PolarHBondContact O-N 3.47Å; M410-N413 VanDerWaalsContact O-N 3.07Å; N413-R415 PolarHBondContact O-N 2.91Å; N413-R415 WeakPolarHBondContact OD1-CA 3.49Å; N413-R415 WeakPolarHBondContact OD1-CB 3.36Å; N413-R415 PolarHBondContact OD1-N 3.39Å; N413-A416 HydrophobicContact CB-CB 3.94Å; N413-A416 PolarHBondContact O-N 3.4Å; N413-A416 PolarHBondContact OD1-N 3.21Å; N413-K417 PolarHBondContact O-N 3.28Å; N413-T476 PolarHBondContact ND2-O 2.94Å
414	S	98.4	Very high	98	Very high	49 Å²	49	47.4 Å²	47.4	34%	0.343	26%	0.256	S	S	.	.	H	α-helix	trans	-62.4	-42.7	-177.4	-64.6	0	0	0	0	112.7	K417 T418	S414-K417 PolarHBondContact O-N 3.15Å; S414-T418 PolarHBondContact O-N 3.32Å; S414-T418 PolarHBondContact O-OG1 2.94Å
415	R	98.5	Very high	98	Very high	108 Å²	108	46 Å²	46	41%	0.408	25%	0.251	S	S	.	.	H	α-helix	trans	-68.9	-43.3	-180	-173.3	165.4	-177.4	156.4	-8.1	112.4	N413 K417 T418 N419 P475 V477	N413-R415 PolarHBondContact O-N 2.91Å; N413-R415 WeakPolarHBondContact OD1-CA 3.49Å; N413-R415 WeakPolarHBondContact OD1-CB 3.36Å; N413-R415 PolarHBondContact OD1-N 3.39Å; R415-K417 VanDerWaalsContact C-N 3.28Å; R415-K417 PolarHBondContact O-N 2.86Å; R415-T418 PolarHBondContact O-N 3.17Å; R415-T418 VanDerWaalsContact O-N 3.16Å; R415-N419 WeakPolarHBondContact O-CB 3.48Å; R415-N419 PolarHBondContact O-N 3.34Å; R415-P475 HydrophobicContact CB-CB 4.23Å; R415-P475 WeakPolarHBondContact CD-O 3.47Å; R415-P475 PolarHBondContact NH1-O 3.24Å; R415-V477 HydrophobicContact CB-CG2 4.32Å; R415-V477 HydrophobicContact CG-CG2 4.24Å
416	A	98.3	Very high	98	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-42.8	175	0	0	0	0	0	111.2	M410 N413 N419 D420 E421 P445	M410-A416 HydrophobicContact CB-CB 4.3Å; M410-A416 WeakPolarHBondContact O-CB 3.44Å; N413-A416 HydrophobicContact CB-CB 3.94Å; N413-A416 PolarHBondContact O-N 3.4Å; N413-A416 PolarHBondContact OD1-N 3.21Å; A416-N419 PolarHBondContact O-N 3.46Å; A416-D420 PolarHBondContact O-N 3.42Å; A416-E421 PolarHBondContact O-N 3.32Å; A416-P445 HydrophobicContact CB-CG 4.46Å
417	K	97.6	Very high	98	Very high	124 Å²	124	43.7 Å²	43.7	54%	0.539	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-46.2	171.7	-84	175.5	157.5	150.8	0	113.2	S411 N413 S414 R415 N419 D420 T422	S411-K417 WeakPolarHBondContact O-CE 3.29Å; S411-K417 PolarHBondContact O-NZ 3.41Å; N413-K417 PolarHBondContact O-N 3.28Å; S414-K417 PolarHBondContact O-N 3.15Å; R415-K417 VanDerWaalsContact C-N 3.28Å; R415-K417 PolarHBondContact O-N 2.86Å; K417-N419 PolarHBondContact O-N 2.99Å; K417-D420 PolarHBondContact O-N 3.2Å; K417-T422 HydrophobicContact CG-CG2 3.97Å
418	T	97.9	Very high	98	Very high	108 Å²	108	40.1 Å²	40.1	66%	0.663	22%	0.221	S	C	*	.	H	α-helix	trans	-58.2	-34.6	177.3	-61.9	0	0	0	0	111.8	S414 R415	S414-T418 PolarHBondContact O-N 3.32Å; S414-T418 PolarHBondContact O-OG1 2.94Å; R415-T418 PolarHBondContact O-N 3.17Å; R415-T418 VanDerWaalsContact O-N 3.16Å
419	N	96.5	Very high	98	Very high	58 Å²	58	40 Å²	40	31%	0.31	22%	0.22	S	C	.	.	H	α-helix	trans	-89.6	-7.7	-179.3	-71.2	2.5	0	0	0	114.3	R97 R415 A416 K417 E421	R97-N419 VanDerWaalsContact CZ-O 3.29Å; R97-N419 PolarHBondContact NH1-O 2.93Å; R97-N419 PolarHBondContact NH2-O 3.29Å; R415-N419 WeakPolarHBondContact O-CB 3.48Å; R415-N419 PolarHBondContact O-N 3.34Å; A416-N419 PolarHBondContact O-N 3.46Å; K417-N419 PolarHBondContact O-N 2.99Å; N419-E421 VanDerWaalsContact C-N 3.3Å; N419-E421 HydrophobicContact CB-CB 4.41Å; N419-E421 HydrophobicContact CB-CG 4.18Å
420	D	95.3	Very high	98	Very high	91 Å²	91	39 Å²	39	49%	0.487	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	36.4	-169.6	-159.5	28.2	0	0	0	113.8	A416 K417	A416-D420 PolarHBondContact O-N 3.42Å; K417-D420 PolarHBondContact O-N 3.2Å
421	E	96	Very high	98	Very high	53 Å²	53	40.8 Å²	40.8	25%	0.248	22%	0.222	C	C	.	.			trans	-117.8	58.9	179.9	-67.3	179.7	156	0	0	110.1	H383 A416 N419 P445	H383-E421 IonicContact CE1-OE1 3.41Å; H383-E421 PolarHBondContact CE1-OE1 3.2Å; H383-E421 IonicContact NE2-OE1 3.92Å; A416-E421 PolarHBondContact O-N 3.32Å; N419-E421 VanDerWaalsContact C-N 3.3Å; N419-E421 HydrophobicContact CB-CB 4.41Å; N419-E421 HydrophobicContact CB-CG 4.18Å; E421-P445 HydrophobicContact CB-CB 4.28Å; E421-P445 HydrophobicContact CB-CG 4.19Å; E421-P445 WeakPolarHBondContact OE2-CB 3.47Å
422	T	97.9	Very high	98.1	Very high	51 Å²	51	44 Å²	44	31%	0.313	23%	0.229	S	C	.	.			trans	-92.9	4	-167.4	58.6	0	0	0	0	115.2	M410 S411 K417	M410-T422 WeakPolarHBondContact CB-O 3.38Å; S411-T422 PolarHBondContact N-O 3.35Å; K417-T422 HydrophobicContact CG-CG2 3.97Å
423	D	98.1	Very high	98	Very high	56 Å²	56	49.5 Å²	49.5	30%	0.299	26%	0.255	S	S	.	.			trans	-73.9	129.3	178.9	-86.6	-20.9	0	0	0	111.2	I252 P384	I252-D423 HydrophobicContact CD1-CB 4.05Å; I252-D423 HydrophobicContact CG1-CB 4.37Å; I252-D423 HydrophobicContact CG2-CB 4.31Å; P384-D423 HydrophobicContact CG-CB 4.24Å
424	G	98.3	Very high	98	Very high	18 Å²	18	53.6 Å²	53.6	19%	0.186	28%	0.281	C	S	.	.			trans	110.9	-174.4	171.4	0	0	0	0	0	115.7	M410 L443	M410-G424 PolarHBondContact N-O 2.89Å; G424-L443 CarbonylContact C-O 3.6Å; G424-L443 VanDerWaalsContact CA-O 3.23Å; G424-L443 WeakPolarHBondContact CA-O 3.33Å
425	L	98.6	Very high	98	Very high	22 Å²	22	52 Å²	52	12%	0.115	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	151.9	179.7	70.2	91.4	0	0	0	110.1	I245 F408 K427 L443	I245-L425 HydrophobicContact CD1-CD1 3.67Å; I245-L425 HydrophobicContact CD1-CG 4.21Å; F408-L425 WeakPolarHBondContact O-CA 3.49Å; L425-K427 HydrophobicContact CD1-CB 3.9Å; L425-L443 CarbonylContact C-O 3.32Å; L425-L443 PolarHBondContact N-O 3.23Å; L425-L443 PolarHBondContact O-N 3.49Å
426	F	98.6	Very high	98	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.2	168.5	-70	2.3	0	0	0	109.7	K407 F408 M410 L442 L450 V477 A480 L481	K407-F426 CarbonylContact C-O 3.54Å; K407-F426 VanDerWaalsContact CA-O 3.27Å; K407-F426 WeakPolarHBondContact CA-O 3.48Å; F408-F426 PolarHBondContact N-O 3.02Å; F408-F426 PolarHBondContact O-N 2.79Å; M410-F426 HydrophobicContact CE-CB 4.14Å; M410-F426 HydrophobicContact CE-CD1 3.47Å; M410-F426 VanDerWaalsContact CE-CD1 3.47Å; M410-F426 HydrophobicContact CE-CD2 3.98Å; M410-F426 HydrophobicContact CE-CE1 3.78Å; M410-F426 HydrophobicContact CE-CE2 4.27Å; M410-F426 HydrophobicContact CE-CG 3.57Å; M410-F426 HydrophobicContact CE-CZ 4.18Å; M410-F426 HydrophobicContact SD-CD1 4.21Å; M410-F426 HydrophobicContact SD-CE1 3.91Å; M410-F426 HydrophobicContact SD-CZ 4.15Å; F426-L442 HydrophobicContact CB-CD2 3.79Å; F426-L442 HydrophobicContact CD1-CB 3.8Å; F426-L442 HydrophobicContact CD1-CD2 3.75Å; F426-L442 HydrophobicContact CD1-CG 4.34Å; F426-L442 HydrophobicContact CD2-CD2 3.59Å; F426-L442 HydrophobicContact CE1-CB 3.75Å; F426-L442 HydrophobicContact CE1-CD2 4.2Å; F426-L442 HydrophobicContact CE1-CG 4.43Å; F426-L442 HydrophobicContact CE2-CD2 4.05Å; F426-L442 HydrophobicContact CG-CB 4.41Å; F426-L442 HydrophobicContact CG-CD2 3.43Å; F426-L442 VanDerWaalsContact CG-CD2 3.43Å; F426-L442 HydrophobicContact CG-CG 4.46Å; F426-L442 HydrophobicContact CZ-CB 4.3Å; F426-L442 HydrophobicContact CZ-CD1 4.48Å; F426-L442 HydrophobicContact CZ-CD2 4.33Å; F426-L450 HydrophobicContact CE2-CD1 3.78Å; F426-L450 HydrophobicContact CZ-CD1 3.84Å; F426-V477 HydrophobicContact CE2-CG1 4.2Å; F426-V477 HydrophobicContact CZ-CG1 3.9Å; F426-A480 HydrophobicContact CD2-CB 3.57Å; F426-A480 HydrophobicContact CE2-CB 3.93Å; F426-A480 HydrophobicContact CG-CB 4.17Å; F426-L481 HydrophobicContact CD2-CB 4.2Å
427	K	98.8	Very high	98.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.7	-175.3	177.6	179.7	177.9	174.4	0	109.8	D242 E244 I245 E393 V405 G406 K407 L425 H441	D242-K427 IonicContact OD1-NZ 2.68Å; D242-K427 PolarHBondContact OD1-NZ 2.93Å; D242-K427 WeakPolarHBondContact OD2-CE 3.45Å; D242-K427 IonicContact OD2-NZ 2.72Å; D242-K427 PolarHBondContact OD2-NZ 2.89Å; E244-K427 IonicContact OE2-NZ 2.75Å; E244-K427 PolarHBondContact OE2-NZ 2.92Å; I245-K427 HydrophobicContact CD1-CB 4.33Å; E393-K427 WeakPolarHBondContact OE2-CE 3.39Å; E393-K427 IonicContact OE2-NZ 2.74Å; E393-K427 PolarHBondContact OE2-NZ 2.91Å; V405-K427 HydrophobicContact CG1-CG 4.13Å; G406-K427 CarbonylContact O-C 3.48Å; G406-K427 WeakPolarHBondContact O-CA 2.82Å; K407-K427 HydrophobicContact CG-CB 4.45Å; K407-K427 HydrophobicContact CG-CG 4.29Å; L425-K427 HydrophobicContact CD1-CB 3.9Å; K427-H441 HydrophobicContact CB-CB 4.38Å; K427-H441 PolarHBondContact N-O 3.01Å; K427-H441 PolarHBondContact O-N 3.47Å
428	A	98.8	Very high	98.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.1	173.8	0	0	0	0	0	110.3	V405 G406 L437 A488	V405-A428 WeakPolarHBondContact CA-O 3.4Å; G406-A428 PolarHBondContact N-O 3.34Å; G406-A428 PolarHBondContact O-N 2.83Å; A428-L437 HydrophobicContact CB-CD2 4.42Å; A428-A488 HydrophobicContact CB-CB 4.34Å
429	L	98.8	Very high	98.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.6	172.3	-56.4	-178.5	0	0	0	108.5	K391 E393 Y403 K404 V405 L438 G439	K391-L429 WeakPolarHBondContact O-CD1 3.21Å; E393-L429 HydrophobicContact CB-CD1 4.2Å; Y403-L429 HydrophobicContact CD2-CD2 4.05Å; Y403-L429 HydrophobicContact CE2-CD2 4.35Å; K404-L429 WeakPolarHBondContact O-CA 3.5Å; V405-L429 HydrophobicContact CB-CD2 4.29Å; V405-L429 HydrophobicContact CG1-CD2 4.07Å; V405-L429 HydrophobicContact CG2-CD2 3.74Å; L429-L438 HydrophobicContact CB-CB 4.31Å; L429-L438 PolarHBondContact O-N 2.97Å; L429-G439 PolarHBondContact N-O 2.87Å; L429-G439 PolarHBondContact O-N 3.22Å
430	A	98.8	Very high	98.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.4	178.2	0	0	0	0	0	110.8	Y403 K404 R436 A464 A488	Y403-A430 CarbonylContact C-O 3.56Å; Y403-A430 WeakPolarHBondContact CA-O 3.47Å; K404-A430 HydrophobicContact CG-CB 4.02Å; K404-A430 PolarHBondContact N-O 3.39Å; K404-A430 PolarHBondContact O-N 3.43Å; A430-R436 CarbonylContact C-O 3.52Å; A430-R436 VanDerWaalsContact CA-O 3.3Å; A430-R436 WeakPolarHBondContact CA-O 3.34Å; A430-A464 HydrophobicContact CB-CB 3.96Å; A430-A488 HydrophobicContact CB-CB 4.42Å
431	H	98.7	Very high	98.4	Very high	39 Å²	39	36.5 Å²	36.5	18%	0.181	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.7	174.8	-166.9	-84.2	0	0	0	110	D433 T434 D435 R436 L438	H431-D433 VanDerWaalsContact C-N 3.32Å; H431-D433 IonicContact CE1-OD2 2.63Å; H431-D433 PolarHBondContact CE1-OD2 3.1Å; H431-D433 PolarHBondContact ND1-N 3.02Å; H431-D433 VanDerWaalsContact ND1-N 3.2Å; H431-D433 IonicContact ND1-OD2 2.96Å; H431-D433 PolarHBondContact O-N 2.97Å; H431-T434 WeakPolarHBondContact CB-OG1 3.27Å; H431-T434 PolarHBondContact ND1-OG1 3.44Å; H431-D435 VanDerWaalsContact O-CA 3.3Å; H431-D435 WeakPolarHBondContact O-CA 3.48Å; H431-D435 PolarHBondContact O-N 3.49Å; H431-R436 HydrophobicContact CB-CB 4.49Å; H431-R436 PolarHBondContact N-O 3.18Å; H431-L438 HydrophobicContact CB-CD1 4.19Å; H431-L438 HydrophobicContact CB-CD2 4.26Å; H431-L438 HydrophobicContact CB-CG 4.28Å
432	K	98.2	Very high	98.6	Very high	128 Å²	128	34 Å²	34	56%	0.557	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-42.2	-176.1	-73.5	-174.3	-173.7	-179.1	0	112.6	P402 Y403 K404	P402-K432 HydrophobicContact CB-CB 4.2Å; P402-K432 HydrophobicContact CB-CD 4.01Å; P402-K432 HydrophobicContact CB-CG 4.21Å; P402-K432 PolarHBondContact O-N 2.81Å; Y403-K432 VanDerWaalsContact C-CG 3.48Å; Y403-K432 WeakPolarHBondContact O-CE 3.33Å; K404-K432 HydrophobicContact CB-CG 4.39Å
433	D	97.7	Very high	98.6	Very high	130 Å²	130	31.5 Å²	31.5	70%	0.695	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-28.8	-169.7	-50.6	-44.7	0	0	0	113.9	H431	H431-D433 VanDerWaalsContact C-N 3.32Å; H431-D433 IonicContact CE1-OD2 2.63Å; H431-D433 PolarHBondContact CE1-OD2 3.1Å; H431-D433 PolarHBondContact ND1-N 3.02Å; H431-D433 VanDerWaalsContact ND1-N 3.2Å; H431-D433 IonicContact ND1-OD2 2.96Å; H431-D433 PolarHBondContact O-N 2.97Å
434	T	98.4	Very high	98.7	Very high	91 Å²	91	28.9 Å²	28.9	56%	0.558	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-7.3	-172.4	63.1	0	0	0	0	113.1	H431 R436	H431-T434 WeakPolarHBondContact CB-OG1 3.27Å; H431-T434 PolarHBondContact ND1-OG1 3.44Å; T434-R436 PolarHBondContact O-N 3.11Å
435	D	98.7	Very high	98.6	Very high	15 Å²	15	28.4 Å²	28.4	8%	0.08	14%	0.138	C	C	.	.			trans	59.9	1.8	-173.4	-160	51.8	0	0	0	115.7	K404 H431 L437 S463 A464 E465 F489	K404-D435 WeakPolarHBondContact CE-OD1 3.43Å; K404-D435 IonicContact NZ-OD1 2.77Å; K404-D435 PolarHBondContact NZ-OD1 3.18Å; H431-D435 VanDerWaalsContact O-CA 3.3Å; H431-D435 WeakPolarHBondContact O-CA 3.48Å; H431-D435 PolarHBondContact O-N 3.49Å; D435-L437 PolarHBondContact O-N 2.91Å; D435-S463 CarbonylContact O-C 3.38Å; D435-S463 WeakPolarHBondContact O-CA 3.23Å; D435-S463 WeakPolarHBondContact OD2-CB 3.39Å; D435-A464 PolarHBondContact O-N 3.35Å; D435-A464 PolarHBondContact OD2-N 2.91Å; D435-A464 VanDerWaalsContact OD2-N 3.16Å; D435-E465 WeakPolarHBondContact OD2-CB 3.08Å; D435-E465 PolarHBondContact OD2-N 3.35Å; D435-F489 WeakPolarHBondContact OD2-CD2 3.33Å
436	R	98.6	Very high	98.6	Very high	135 Å²	135	30.1 Å²	30.1	51%	0.509	15%	0.152	S	C	.	.	B	Isolated β-bridge	trans	-56.4	131.5	178.2	-173.9	176.4	179.8	176.8	2.2	110.9	A430 H431 T434 L438	A430-R436 CarbonylContact C-O 3.52Å; A430-R436 VanDerWaalsContact CA-O 3.3Å; A430-R436 WeakPolarHBondContact CA-O 3.34Å; H431-R436 HydrophobicContact CB-CB 4.49Å; H431-R436 PolarHBondContact N-O 3.18Å; T434-R436 PolarHBondContact O-N 3.11Å; R436-L438 PolarHBondContact O-N 3.37Å
437	L	98.6	Very high	98.6	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	128.4	173	-72.4	173.8	0	0	0	110.5	A428 D435 V440 A457 M458 A462 A464 V467	A428-L437 HydrophobicContact CB-CD2 4.42Å; D435-L437 PolarHBondContact O-N 2.91Å; L437-V440 HydrophobicContact CD2-CG2 4.47Å; L437-A457 HydrophobicContact CD1-CB 4.16Å; L437-M458 HydrophobicContact CB-CG 4.2Å; L437-A462 PolarHBondContact N-O 3.44Å; L437-A464 HydrophobicContact CD2-CB 3.96Å; L437-V467 HydrophobicContact CD1-CG2 3.78Å
438	L	98.8	Very high	98.5	Very high	22 Å²	22	30.5 Å²	30.5	12%	0.115	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-30.4	178.9	-62.6	176.4	0	0	0	111.7	K391 I401 L429 H431 R436 M458	K391-L438 PolarHBondContact N-O 2.79Å; I401-L438 HydrophobicContact CG2-CD1 3.68Å; I401-L438 HydrophobicContact CG2-CD2 4.47Å; L429-L438 HydrophobicContact CB-CB 4.31Å; L429-L438 PolarHBondContact O-N 2.97Å; H431-L438 HydrophobicContact CB-CD1 4.19Å; H431-L438 HydrophobicContact CB-CD2 4.26Å; H431-L438 HydrophobicContact CB-CG 4.28Å; R436-L438 PolarHBondContact O-N 3.37Å; L438-M458 WeakPolarHBondContact O-CE 3.3Å
439	G	98.9	Very high	98.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	153.4	175.6	0	0	0	0	0	112.3	V389 L429	V389-G439 CarbonylContact O-C 3.53Å; V389-G439 VanDerWaalsContact O-CA 3.23Å; V389-G439 WeakPolarHBondContact O-CA 3.3Å; L429-G439 PolarHBondContact N-O 2.87Å; L429-G439 PolarHBondContact O-N 3.22Å
440	V	98.9	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.8	-179.7	175.6	0	0	0	0	108.4	W388 V389 L437 L442 I451 A454 L481	W388-V440 VanDerWaalsContact CA-O 3.24Å; W388-V440 WeakPolarHBondContact CA-O 3.46Å; V389-V440 HydrophobicContact CG1-CB 4.31Å; V389-V440 PolarHBondContact N-O 3.13Å; V389-V440 PolarHBondContact O-N 3.41Å; L437-V440 HydrophobicContact CD2-CG2 4.47Å; V440-L442 HydrophobicContact CG1-CD2 3.58Å; V440-L442 HydrophobicContact CG1-CG 4.1Å; V440-I451 HydrophobicContact CG1-CD1 4.47Å; V440-A454 HydrophobicContact CB-CB 3.7Å; V440-A454 HydrophobicContact CG1-CB 3.77Å; V440-A454 HydrophobicContact CG2-CB 3.86Å; V440-L481 HydrophobicContact CG1-CD1 3.69Å
441	H	98.9	Very high	98.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	118.8	-173.3	-48	-93.4	0	0	0	109.9	D242 I245 W388 K391 N392 K427	D242-H441 HydrophobicContact CB-CB 4.33Å; I245-H441 HydrophobicContact CD1-CB 4.31Å; I245-H441 HydrophobicContact CG1-CB 3.71Å; W388-H441 HydrophobicContact CB-CB 4.33Å; W388-H441 WeakPolarHBondContact CB-ND1 3.33Å; K391-H441 PolarHBondContact O-CE1 3.36Å; K391-H441 PolarHBondContact O-NE2 2.88Å; N392-H441 VanDerWaalsContact CA-CE1 3.46Å; N392-H441 WeakPolarHBondContact CA-CE1 3.43Å; K427-H441 HydrophobicContact CB-CB 4.38Å; K427-H441 PolarHBondContact N-O 3.01Å; K427-H441 PolarHBondContact O-N 3.47Å
442	L	98.9	Very high	98.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.8	-169.1	-50.3	-176.9	0	0	0	109.4	C386 A387 F426 V440 A447 L450 I451 L481	C386-L442 CarbonylContact C-O 3.32Å; C386-L442 VanDerWaalsContact CA-O 3.3Å; C386-L442 WeakPolarHBondContact CA-O 3.48Å; A387-L442 PolarHBondContact N-O 3.06Å; A387-L442 PolarHBondContact O-N 3.41Å; F426-L442 HydrophobicContact CB-CD2 3.79Å; F426-L442 HydrophobicContact CD1-CB 3.8Å; F426-L442 HydrophobicContact CD1-CD2 3.75Å; F426-L442 HydrophobicContact CD1-CG 4.34Å; F426-L442 HydrophobicContact CD2-CD2 3.59Å; F426-L442 HydrophobicContact CE1-CB 3.75Å; F426-L442 HydrophobicContact CE1-CD2 4.2Å; F426-L442 HydrophobicContact CE1-CG 4.43Å; F426-L442 HydrophobicContact CE2-CD2 4.05Å; F426-L442 HydrophobicContact CG-CB 4.41Å; F426-L442 HydrophobicContact CG-CD2 3.43Å; F426-L442 VanDerWaalsContact CG-CD2 3.43Å; F426-L442 HydrophobicContact CG-CG 4.46Å; F426-L442 HydrophobicContact CZ-CB 4.3Å; F426-L442 HydrophobicContact CZ-CD1 4.48Å; F426-L442 HydrophobicContact CZ-CD2 4.33Å; V440-L442 HydrophobicContact CG1-CD2 3.58Å; V440-L442 HydrophobicContact CG1-CG 4.1Å; L442-A447 HydrophobicContact CB-CB 3.83Å; L442-L450 HydrophobicContact CD1-CB 4.01Å; L442-I451 HydrophobicContact CD1-CB 4.13Å; L442-I451 HydrophobicContact CD1-CD1 3.88Å; L442-I451 HydrophobicContact CG-CD1 4.03Å; L442-L481 HydrophobicContact CD2-CD1 4.42Å
443	L	98.9	Very high	98.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	112.2	168.1	175.2	64.7	0	0	0	107.2	I245 N248 F249 I252 P384 E385 C386 G424 L425	I245-L443 HydrophobicContact CD1-CB 4.28Å; I245-L443 HydrophobicContact CG2-CB 4.16Å; N248-L443 HydrophobicContact CB-CD2 3.65Å; F249-L443 HydrophobicContact CB-CD1 4.04Å; F249-L443 HydrophobicContact CB-CD2 4.12Å; F249-L443 HydrophobicContact CD2-CD1 3.77Å; F249-L443 HydrophobicContact CG-CD1 4.22Å; I252-L443 HydrophobicContact CD1-CD2 3.93Å; I252-L443 HydrophobicContact CD1-CG 4.32Å; P384-L443 HydrophobicContact CG-CD1 3.97Å; E385-L443 WeakPolarHBondContact O-CA 3.4Å; C386-L443 HydrophobicContact CB-CD1 4.05Å; G424-L443 CarbonylContact C-O 3.6Å; G424-L443 VanDerWaalsContact CA-O 3.23Å; G424-L443 WeakPolarHBondContact CA-O 3.33Å; L425-L443 CarbonylContact C-O 3.32Å; L425-L443 PolarHBondContact N-O 3.23Å; L425-L443 PolarHBondContact O-N 3.49Å
444	G	98.6	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.5	-176.2	-174.5	0	0	0	0	0	113.4	E385	E385-G444 PolarHBondContact N-O 3.4Å; E385-G444 PolarHBondContact O-N 2.92Å
445	P	98	Very high	98.6	Very high	8 Å²	8	28.2 Å²	28.2	5%	0.052	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	143.8	174.2	26.4	-32.5	0	0	0	110.9	A416 E421 A447 V477	A416-P445 HydrophobicContact CB-CG 4.46Å; E421-P445 HydrophobicContact CB-CB 4.28Å; E421-P445 HydrophobicContact CB-CG 4.19Å; E421-P445 WeakPolarHBondContact OE2-CB 3.47Å; P445-A447 PolarHBondContact O-N 2.63Å; P445-A447 VanDerWaalsContact O-N 3.1Å; P445-V477 HydrophobicContact CG-CG1 4.15Å; P445-V477 HydrophobicContact CG-CG2 4.1Å; P445-V477 WeakPolarHBondContact O-CG1 3.15Å
446	S	97.1	Very high	98.6	Very high	59 Å²	59	32.7 Å²	32.7	41%	0.413	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	19.8	177.4	-50.5	0	0	0	0	115.9	G448 E449 L450	S446-G448 VanDerWaalsContact C-N 3.26Å; S446-G448 PolarHBondContact O-N 3.43Å; S446-E449 PolarHBondContact O-N 3.18Å; S446-L450 WeakPolarHBondContact O-CB 3.44Å; S446-L450 WeakPolarHBondContact O-CG 2.98Å; S446-L450 PolarHBondContact O-N 2.94Å
447	A	98.7	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.9	-36.8	-179.1	0	0	0	0	0	112.4	E385 A387 L442 P445 E449 L450 I451	E385-A447 HydrophobicContact CB-CB 3.81Å; E385-A447 PolarHBondContact OE2-N 3.37Å; A387-A447 HydrophobicContact CB-CB 4.04Å; A387-A447 VanDerWaalsContact CB-O 3.29Å; A387-A447 WeakPolarHBondContact CB-O 3.49Å; L442-A447 HydrophobicContact CB-CB 3.83Å; P445-A447 PolarHBondContact O-N 2.63Å; P445-A447 VanDerWaalsContact O-N 3.1Å; A447-E449 VanDerWaalsContact C-N 3.31Å; A447-E449 PolarHBondContact O-N 2.98Å; A447-L450 PolarHBondContact O-N 3.35Å; A447-I451 WeakPolarHBondContact O-CB 3.01Å; A447-I451 PolarHBondContact O-N 3.24Å
448	G	98.4	Very high	98.6	Very high	7 Å²	7	27.2 Å²	27.2	7%	0.072	15%	0.147	C	C	.	.	H	α-helix	trans	-66.6	-28.6	178.9	0	0	0	0	0	114.2	E385 S446 I451 N452	E385-G448 PolarHBondContact OE2-N 2.82Å; S446-G448 VanDerWaalsContact C-N 3.26Å; S446-G448 PolarHBondContact O-N 3.43Å; G448-I451 WeakPolarHBondContact O-CG2 3.28Å; G448-N452 PolarHBondContact O-ND2 3.39Å; G448-N452 VanDerWaalsContact O-ND2 3.15Å
449	E	98.5	Very high	98.6	Very high	145 Å²	145	30.8 Å²	30.8	68%	0.678	16%	0.163	S	C	*	.	H	α-helix	trans	-84.1	-45	174	-66.8	-61.4	152.6	0	0	111.2	S446 A447 I451 N452	S446-E449 PolarHBondContact O-N 3.18Å; A447-E449 VanDerWaalsContact C-N 3.31Å; A447-E449 PolarHBondContact O-N 2.98Å; E449-I451 VanDerWaalsContact C-N 3.3Å; E449-I451 PolarHBondContact O-N 3.18Å; E449-N452 WeakPolarHBondContact O-CB 3.36Å; E449-N452 PolarHBondContact O-N 3.18Å; E449-N452 PolarHBondContact O-ND2 2.79Å
450	L	98.4	Very high	98.6	Very high	25 Å²	25	40.3 Å²	40.3	13%	0.131	20%	0.201	C	C	.	.	H	α-helix	trans	-70	-24.4	-174.9	-68.4	178.4	0	0	0	113.7	F426 L442 S446 A447 N452 E453 V477	F426-L450 HydrophobicContact CE2-CD1 3.78Å; F426-L450 HydrophobicContact CZ-CD1 3.84Å; L442-L450 HydrophobicContact CD1-CB 4.01Å; S446-L450 WeakPolarHBondContact O-CB 3.44Å; S446-L450 WeakPolarHBondContact O-CG 2.98Å; S446-L450 PolarHBondContact O-N 2.94Å; A447-L450 PolarHBondContact O-N 3.35Å; L450-N452 PolarHBondContact O-N 3.48Å; L450-E453 WeakPolarHBondContact O-CB 2.84Å; L450-E453 PolarHBondContact O-N 2.92Å; L450-E453 VanDerWaalsContact O-N 3.11Å; L450-V477 HydrophobicContact CD1-CB 3.93Å; L450-V477 HydrophobicContact CD1-CG1 3.67Å
451	I	98.8	Very high	98.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-27.2	176.8	-161.8	63.1	0	0	0	112.3	P377 V379 A387 V389 V440 L442 A447 G448 E449 E453 A454 V455	P377-I451 HydrophobicContact CB-CG1 3.98Å; P377-I451 HydrophobicContact CB-CG2 4.01Å; V379-I451 HydrophobicContact CG2-CG2 4.15Å; A387-I451 HydrophobicContact CB-CB 3.72Å; A387-I451 HydrophobicContact CB-CD1 4.33Å; A387-I451 HydrophobicContact CB-CG1 4.01Å; A387-I451 HydrophobicContact CB-CG2 4Å; V389-I451 HydrophobicContact CB-CD1 4.23Å; V389-I451 HydrophobicContact CB-CG1 4.25Å; V389-I451 HydrophobicContact CG1-CD1 3.8Å; V389-I451 HydrophobicContact CG1-CG1 4.19Å; V440-I451 HydrophobicContact CG1-CD1 4.47Å; L442-I451 HydrophobicContact CD1-CB 4.13Å; L442-I451 HydrophobicContact CD1-CD1 3.88Å; L442-I451 HydrophobicContact CG-CD1 4.03Å; A447-I451 WeakPolarHBondContact O-CB 3.01Å; A447-I451 PolarHBondContact O-N 3.24Å; G448-I451 WeakPolarHBondContact O-CG2 3.28Å; E449-I451 VanDerWaalsContact C-N 3.3Å; E449-I451 PolarHBondContact O-N 3.18Å; I451-E453 VanDerWaalsContact C-N 3.26Å; I451-E453 PolarHBondContact O-N 3.07Å; I451-A454 HydrophobicContact CD1-CB 4.27Å; I451-A454 WeakPolarHBondContact O-CA 3.39Å; I451-A454 WeakPolarHBondContact O-CB 3.49Å; I451-A454 PolarHBondContact O-N 2.9Å; I451-A454 VanDerWaalsContact O-N 3.07Å; I451-V455 WeakPolarHBondContact O-CG2 3.32Å; I451-V455 PolarHBondContact O-N 3.06Å
452	N	98.8	Very high	98.5	Very high	81 Å²	81	42.4 Å²	42.4	43%	0.433	22%	0.221	S	C	.	.	H	α-helix	trans	-67.3	-27.5	178.8	-56.8	-68.5	0	0	0	112.4	G448 E449 L450 V455 L456	G448-N452 PolarHBondContact O-ND2 3.39Å; G448-N452 VanDerWaalsContact O-ND2 3.15Å; E449-N452 WeakPolarHBondContact O-CB 3.36Å; E449-N452 PolarHBondContact O-N 3.18Å; E449-N452 PolarHBondContact O-ND2 2.79Å; L450-N452 PolarHBondContact O-N 3.48Å; N452-V455 PolarHBondContact O-N 3.42Å; N452-L456 PolarHBondContact O-N 3.49Å
453	E	98.7	Very high	98.5	Very high	63 Å²	63	43.3 Å²	43.3	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-66	-41.5	170.6	-172.7	-179.9	157	0	0	110.9	L450 I451 L456 A457 H472 L481	L450-E453 WeakPolarHBondContact O-CB 2.84Å; L450-E453 PolarHBondContact O-N 2.92Å; L450-E453 VanDerWaalsContact O-N 3.11Å; I451-E453 VanDerWaalsContact C-N 3.26Å; I451-E453 PolarHBondContact O-N 3.07Å; E453-L456 PolarHBondContact O-N 2.96Å; E453-A457 WeakPolarHBondContact O-CB 3.45Å; E453-A457 PolarHBondContact O-N 3.39Å; E453-H472 IonicContact OE1-CD2 3.95Å; E453-H472 IonicContact OE1-CE1 3.88Å; E453-H472 PolarHBondContact OE1-CE1 3.31Å; E453-H472 IonicContact OE1-NE2 2.8Å; E453-H472 PolarHBondContact OE1-NE2 3.09Å; E453-H472 IonicContact OE2-NE2 2.67Å; E453-L481 HydrophobicContact CB-CD2 4.13Å; E453-L481 HydrophobicContact CG-CD2 4.09Å
454	A	98.7	Very high	98.5	Very high	2 Å²	2	43.3 Å²	43.3	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-68.1	-37.1	175.5	0	0	0	0	0	112.5	V389 V440 I451 A457 M458	V389-A454 HydrophobicContact CG1-CB 3.81Å; V440-A454 HydrophobicContact CB-CB 3.7Å; V440-A454 HydrophobicContact CG1-CB 3.77Å; V440-A454 HydrophobicContact CG2-CB 3.86Å; I451-A454 HydrophobicContact CD1-CB 4.27Å; I451-A454 WeakPolarHBondContact O-CA 3.39Å; I451-A454 WeakPolarHBondContact O-CB 3.49Å; I451-A454 PolarHBondContact O-N 2.9Å; I451-A454 VanDerWaalsContact O-N 3.07Å; A454-A457 PolarHBondContact O-N 3.17Å; A454-M458 WeakPolarHBondContact O-CB 3.4Å; A454-M458 WeakPolarHBondContact O-CG 3.39Å; A454-M458 PolarHBondContact O-N 3.05Å
455	V	98.8	Very high	98.5	Very high	25 Å²	25	46 Å²	46	15%	0.152	24%	0.24	C	C	.	.	H	α-helix	trans	-57.4	-51.5	172.6	172.7	0	0	0	0	109.9	C375 P377 V389 I451 N452 A457 M458 E459	C375-V455 WeakPolarHBondContact O-CG1 3.23Å; P377-V455 HydrophobicContact CB-CG2 3.73Å; P377-V455 HydrophobicContact CG-CG2 3.77Å; V389-V455 HydrophobicContact CB-CG2 4.13Å; V389-V455 HydrophobicContact CG1-CG2 4.31Å; V389-V455 HydrophobicContact CG2-CG2 3.88Å; I451-V455 WeakPolarHBondContact O-CG2 3.32Å; I451-V455 PolarHBondContact O-N 3.06Å; N452-V455 PolarHBondContact O-N 3.42Å; V455-A457 VanDerWaalsContact C-N 3.34Å; V455-A457 PolarHBondContact O-N 3.47Å; V455-M458 PolarHBondContact O-N 2.97Å; V455-E459 HydrophobicContact CG1-CG 4.36Å; V455-E459 WeakPolarHBondContact O-CB 3.4Å; V455-E459 WeakPolarHBondContact O-CG 3.3Å; V455-E459 PolarHBondContact O-N 3.37Å
456	L	98.8	Very high	98.6	Very high	108 Å²	108	49.9 Å²	49.9	57%	0.565	26%	0.26	S	S	*	.	H	α-helix	trans	-58.4	-45.2	178	176	62.6	0	0	0	112.1	N452 E453 M458 E459 Y460	N452-L456 PolarHBondContact O-N 3.49Å; E453-L456 PolarHBondContact O-N 2.96Å; L456-M458 VanDerWaalsContact C-N 3.34Å; L456-M458 PolarHBondContact O-N 3.16Å; L456-E459 PolarHBondContact O-N 2.98Å; L456-Y460 HydrophobicContact CD1-CD2 4.05Å; L456-Y460 HydrophobicContact CD1-CE2 4.28Å; L456-Y460 PolarHBondContact O-N 2.92Å; L456-Y460 VanDerWaalsContact O-N 3.13Å
457	A	98.7	Very high	98.7	Very high	13 Å²	13	47.5 Å²	47.5	11%	0.107	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-44.3	178.1	0	0	0	0	0	111.6	L437 E453 A454 V455 Y460 G461 A462 V467	L437-A457 HydrophobicContact CD1-CB 4.16Å; E453-A457 WeakPolarHBondContact O-CB 3.45Å; E453-A457 PolarHBondContact O-N 3.39Å; A454-A457 PolarHBondContact O-N 3.17Å; V455-A457 VanDerWaalsContact C-N 3.34Å; V455-A457 PolarHBondContact O-N 3.47Å; A457-Y460 PolarHBondContact O-N 3.35Å; A457-G461 PolarHBondContact O-N 2.78Å; A457-A462 HydrophobicContact CB-CB 3.98Å; A457-A462 WeakPolarHBondContact O-CB 3.46Å; A457-A462 PolarHBondContact O-N 3.34Å; A457-V467 HydrophobicContact CB-CG2 3.89Å
458	M	98.6	Very high	98.6	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-69.9	-39.7	-179.7	-73.3	-168.6	61.2	0	0	113.3	V389 L437 L438 A454 V455 L456 Y460 G461	V389-M458 HydrophobicContact CG1-SD 3.81Å; V389-M458 HydrophobicContact CG2-SD 4.27Å; L437-M458 HydrophobicContact CB-CG 4.2Å; L438-M458 WeakPolarHBondContact O-CE 3.3Å; A454-M458 WeakPolarHBondContact O-CB 3.4Å; A454-M458 WeakPolarHBondContact O-CG 3.39Å; A454-M458 PolarHBondContact O-N 3.05Å; V455-M458 PolarHBondContact O-N 2.97Å; L456-M458 VanDerWaalsContact C-N 3.34Å; L456-M458 PolarHBondContact O-N 3.16Å; M458-Y460 VanDerWaalsContact C-N 3.27Å; M458-Y460 PolarHBondContact O-N 2.78Å; M458-G461 WeakPolarHBondContact O-CA 3.39Å; M458-G461 PolarHBondContact O-N 2.89Å
459	E	98.5	Very high	98.6	Very high	97 Å²	97	55.7 Å²	55.7	45%	0.453	27%	0.273	S	S	.	.	H	α-helix	trans	-58.8	-38.9	173.4	-76.7	-71.5	-178.9	0	0	111.7	C375 V455 L456 G461	C375-E459 HydrophobicContact CB-CG 3.95Å; C375-E459 WeakPolarHBondContact CB-OE1 3.46Å; V455-E459 HydrophobicContact CG1-CG 4.36Å; V455-E459 WeakPolarHBondContact O-CB 3.4Å; V455-E459 WeakPolarHBondContact O-CG 3.3Å; V455-E459 PolarHBondContact O-N 3.37Å; L456-E459 PolarHBondContact O-N 2.98Å; E459-G461 PolarHBondContact O-N 3.37Å
460	Y	98.5	Very high	98.6	Very high	201 Å²	201	52.2 Å²	52.2	79%	0.788	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-4.9	174	-99.7	-99.3	0	0	0	114.3	L456 A457 M458 A462	L456-Y460 HydrophobicContact CD1-CD2 4.05Å; L456-Y460 HydrophobicContact CD1-CE2 4.28Å; L456-Y460 PolarHBondContact O-N 2.92Å; L456-Y460 VanDerWaalsContact O-N 3.13Å; A457-Y460 PolarHBondContact O-N 3.35Å; M458-Y460 VanDerWaalsContact C-N 3.27Å; M458-Y460 PolarHBondContact O-N 2.78Å; Y460-A462 VanDerWaalsContact C-N 3.33Å
461	G	98.4	Very high	98.7	Very high	30 Å²	30	57.1 Å²	57.1	31%	0.309	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	28.6	-176.5	0	0	0	0	0	113.9	A457 M458 E459	A457-G461 PolarHBondContact O-N 2.78Å; M458-G461 WeakPolarHBondContact O-CA 3.39Å; M458-G461 PolarHBondContact O-N 2.89Å; E459-G461 PolarHBondContact O-N 3.37Å
462	A	98.7	Very high	98.6	Very high	15 Å²	15	58.1 Å²	58.1	12%	0.124	30%	0.301	C	S	.	.			trans	-59.2	151.1	-176.8	0	0	0	0	0	113.2	L437 A457 Y460 D466	L437-A462 PolarHBondContact N-O 3.44Å; A457-A462 HydrophobicContact CB-CB 3.98Å; A457-A462 WeakPolarHBondContact O-CB 3.46Å; A457-A462 PolarHBondContact O-N 3.34Å; Y460-A462 VanDerWaalsContact C-N 3.33Å; A462-D466 HydrophobicContact CB-CB 4.23Å
463	S	98.8	Very high	98.6	Very high	18 Å²	18	57.4 Å²	57.4	13%	0.126	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-82.9	165.1	167	67.8	0	0	0	0	111.9	D435 E465 D466	D435-S463 CarbonylContact O-C 3.38Å; D435-S463 WeakPolarHBondContact O-CA 3.23Å; D435-S463 WeakPolarHBondContact OD2-CB 3.39Å; S463-E465 VanDerWaalsContact C-N 3.25Å; S463-D466 WeakPolarHBondContact CB-OD2 3.49Å; S463-D466 PolarHBondContact N-OD2 2.84Å; S463-D466 PolarHBondContact O-N 3.22Å; S463-D466 PolarHBondContact OG-N 2.89Å; S463-D466 PolarHBondContact OG-OD2 3.05Å
464	A	98.8	Very high	98.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-33.4	170.3	0	0	0	0	0	111.4	A430 D435 L437 A468 C485 A488 F489	A430-A464 HydrophobicContact CB-CB 3.96Å; D435-A464 PolarHBondContact O-N 3.35Å; D435-A464 PolarHBondContact OD2-N 2.91Å; D435-A464 VanDerWaalsContact OD2-N 3.16Å; L437-A464 HydrophobicContact CD2-CB 3.96Å; A464-A468 VanDerWaalsContact O-CB 3.28Å; A464-A468 WeakPolarHBondContact O-CB 3.19Å; A464-A468 PolarHBondContact O-N 3.5Å; A464-C485 HydrophobicContact CB-CB 4.33Å; A464-C485 WeakPolarHBondContact O-CB 3.35Å; A464-A488 HydrophobicContact CB-CB 4.15Å; A464-F489 HydrophobicContact CB-CB 4.07Å
465	E	98.7	Very high	98.5	Very high	57 Å²	57	63.5 Å²	63.5	27%	0.266	34%	0.339	S	S	.	.	H	α-helix	trans	-58.8	-44.4	172.7	-174.2	168.9	-166.3	0	0	112.2	D435 S463 V467 A468 R469 F489	D435-E465 WeakPolarHBondContact OD2-CB 3.08Å; D435-E465 PolarHBondContact OD2-N 3.35Å; S463-E465 VanDerWaalsContact C-N 3.25Å; E465-V467 PolarHBondContact O-N 3.44Å; E465-A468 PolarHBondContact O-N 2.94Å; E465-R469 HydrophobicContact CG-CG 4.27Å; E465-R469 WeakPolarHBondContact O-CB 3.28Å; E465-R469 WeakPolarHBondContact O-CG 3.46Å; E465-R469 PolarHBondContact O-N 3.11Å; E465-R469 IonicContact OE1-CZ 3.18Å; E465-R469 IonicContact OE1-NE 2.75Å; E465-R469 PolarHBondContact OE1-NE 3.14Å; E465-R469 IonicContact OE1-NH2 2.69Å; E465-R469 PolarHBondContact OE1-NH2 3.41Å; E465-F489 HydrophobicContact CB-CD1 4.09Å; E465-F489 HydrophobicContact CB-CD2 3.6Å; E465-F489 HydrophobicContact CB-CE1 4.18Å; E465-F489 HydrophobicContact CB-CE2 3.7Å; E465-F489 HydrophobicContact CB-CG 3.81Å; E465-F489 HydrophobicContact CB-CZ 4Å; E465-F489 HydrophobicContact CG-CD1 4.09Å; E465-F489 HydrophobicContact CG-CD2 4.21Å; E465-F489 HydrophobicContact CG-CE1 3.75Å; E465-F489 HydrophobicContact CG-CE2 3.88Å; E465-F489 HydrophobicContact CG-CG 4.31Å; E465-F489 HydrophobicContact CG-CZ 3.64Å; E465-F489 WeakPolarHBondContact OE1-CZ 3.35Å; E465-F489 VanDerWaalsContact OE2-CE2 3.27Å; E465-F489 WeakPolarHBondContact OE2-CE2 3.47Å; E465-F489 WeakPolarHBondContact OE2-CZ 3.46Å
466	D	98.8	Very high	98.5	Very high	89 Å²	89	63.4 Å²	63.4	48%	0.476	34%	0.339	S	S	.	.	H	α-helix	trans	-56.7	-52	-179.6	-67.3	-45.7	0	0	0	110.5	A462 S463 A468 R469 V470	A462-D466 HydrophobicContact CB-CB 4.23Å; S463-D466 WeakPolarHBondContact CB-OD2 3.49Å; S463-D466 PolarHBondContact N-OD2 2.84Å; S463-D466 PolarHBondContact O-N 3.22Å; S463-D466 PolarHBondContact OG-N 2.89Å; S463-D466 PolarHBondContact OG-OD2 3.05Å; D466-A468 PolarHBondContact O-N 2.9Å; D466-R469 PolarHBondContact O-N 2.87Å; D466-V470 WeakPolarHBondContact O-CG2 3.32Å; D466-V470 PolarHBondContact O-N 2.66Å
467	V	98.6	Very high	98.5	Very high	10 Å²	10	58.7 Å²	58.7	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-64.7	-40.1	178.3	-179	0	0	0	0	111.4	L437 A457 E465 R469 V470 H472 L481 C485	L437-V467 HydrophobicContact CD1-CG2 3.78Å; A457-V467 HydrophobicContact CB-CG2 3.89Å; E465-V467 PolarHBondContact O-N 3.44Å; V467-R469 PolarHBondContact O-N 3.16Å; V467-V470 PolarHBondContact O-N 2.91Å; V467-H472 PolarHBondContact O-CE1 3.37Å; V467-L481 HydrophobicContact CG1-CG 4.2Å; V467-C485 HydrophobicContact CB-CB 4.01Å; V467-C485 HydrophobicContact CG1-CB 4.08Å
468	A	98.5	Very high	98.5	Very high	3 Å²	3	59 Å²	59	3%	0.025	32%	0.315	C	S	.	.	H	α-helix	trans	-62.5	-28.8	178.4	0	0	0	0	0	113.4	A464 E465 D466 R482 C485 L486	A464-A468 VanDerWaalsContact O-CB 3.28Å; A464-A468 WeakPolarHBondContact O-CB 3.19Å; A464-A468 PolarHBondContact O-N 3.5Å; E465-A468 PolarHBondContact O-N 2.94Å; D466-A468 PolarHBondContact O-N 2.9Å; A468-R482 WeakPolarHBondContact O-CG 3.37Å; A468-R482 PolarHBondContact O-NE 3.46Å; A468-R482 VanDerWaalsContact O-NE 3.09Å; A468-C485 HydrophobicContact CB-CB 4.48Å; A468-L486 HydrophobicContact CB-CB 3.82Å; A468-L486 HydrophobicContact CB-CD1 3.98Å
469	R	98.4	Very high	98.5	Very high	176 Å²	176	59.6 Å²	59.6	66%	0.664	32%	0.318	S	S	*	.	H	α-helix	trans	-90.5	-10.1	179.5	-70.1	-175.8	-178.7	-74.3	-0.2	114.1	E465 D466 V467 C471	E465-R469 HydrophobicContact CG-CG 4.27Å; E465-R469 WeakPolarHBondContact O-CB 3.28Å; E465-R469 WeakPolarHBondContact O-CG 3.46Å; E465-R469 PolarHBondContact O-N 3.11Å; E465-R469 IonicContact OE1-CZ 3.18Å; E465-R469 IonicContact OE1-NE 2.75Å; E465-R469 PolarHBondContact OE1-NE 3.14Å; E465-R469 IonicContact OE1-NH2 2.69Å; E465-R469 PolarHBondContact OE1-NH2 3.41Å; D466-R469 PolarHBondContact O-N 2.87Å; V467-R469 PolarHBondContact O-N 3.16Å; R469-C471 PolarHBondContact O-N 2.96Å
470	V	98.6	Very high	98.5	Very high	72 Å²	72	55 Å²	55	44%	0.436	30%	0.297	S	S	.	.	S	Bend	trans	-62.7	130.1	169.9	175	0	0	0	0	109.5	D466 V467 H472	D466-V470 WeakPolarHBondContact O-CG2 3.32Å; D466-V470 PolarHBondContact O-N 2.66Å; V467-V470 PolarHBondContact O-N 2.91Å; V470-H472 VanDerWaalsContact C-N 3.28Å; V470-H472 PolarHBondContact O-N 3.46Å; V470-H472 PolarHBondContact O-ND1 2.96Å
471	C	98.6	Very high	98.5	Very high	128 Å²	128	45.5 Å²	45.5	87%	0.865	26%	0.26	S	S	*	.			trans	-74.4	80.8	175	-168	0	0	0	0	110.3	R469	R469-C471 PolarHBondContact O-N 2.96Å
472	H	98.5	Very high	98.5	Very high	21 Å²	21	47.3 Å²	47.3	10%	0.097	26%	0.257	C	S	.	.			trans	-64.9	137.1	173.8	-70.2	62.2	0	0	0	110	E453 V467 V470 S478 E479	E453-H472 IonicContact OE1-CD2 3.95Å; E453-H472 IonicContact OE1-CE1 3.88Å; E453-H472 PolarHBondContact OE1-CE1 3.31Å; E453-H472 IonicContact OE1-NE2 2.8Å; E453-H472 PolarHBondContact OE1-NE2 3.09Å; E453-H472 IonicContact OE2-NE2 2.67Å; V467-H472 PolarHBondContact O-CE1 3.37Å; V470-H472 VanDerWaalsContact C-N 3.28Å; V470-H472 PolarHBondContact O-N 3.46Å; V470-H472 PolarHBondContact O-ND1 2.96Å; H472-S478 VanDerWaalsContact CD2-C 3.47Å; H472-S478 PolarHBondContact CD2-O 3.04Å; H472-S478 PolarHBondContact CD2-OG 3.4Å; H472-E479 HydrophobicContact CB-CG 4.18Å
473	A	98.6	Very high	98.5	Very high	65 Å²	65	46.7 Å²	46.7	54%	0.537	25%	0.252	S	S	.	.			trans	-64	146.1	-179.7	0	0	0	0	0	111.6	T476 E479	A473-T476 HydrophobicContact CB-CG2 3.85Å; A473-T476 WeakPolarHBondContact O-CB 3.42Å; A473-T476 VanDerWaalsContact O-CG2 3.27Å; A473-T476 WeakPolarHBondContact O-CG2 3.31Å; A473-T476 PolarHBondContact O-N 2.86Å; A473-T476 PolarHBondContact O-OG1 3.4Å; A473-E479 WeakPolarHBondContact O-CG 3.08Å
474	H	98.3	Very high	98.5	Very high	131 Å²	131	45.9 Å²	45.9	61%	0.606	25%	0.246	S	C	*	.	S	Bend	trans	-117.7	133.8	179	-175.5	78.3	0	0	0	111.5	E479	H474-E479 IonicContact CE1-OE1 3.77Å; H474-E479 IonicContact CE1-OE2 3.09Å; H474-E479 IonicContact CG-OE1 3.59Å; H474-E479 IonicContact CG-OE2 2.74Å; H474-E479 VanDerWaalsContact ND1-CD 3.28Å; H474-E479 IonicContact ND1-OE1 2.74Å; H474-E479 PolarHBondContact ND1-OE1 3.46Å; H474-E479 IonicContact ND1-OE2 3.9Å; H474-E479 PolarHBondContact ND1-OE2 3.48Å; H474-E479 VanDerWaalsContact ND1-OE2 3.09Å
475	P	97.3	Very high	98.5	Very high	62 Å²	62	45.9 Å²	45.9	40%	0.403	25%	0.246	S	C	.	.	S	Bend	cis	-85.2	131.1	-8.5	33.6	-33	0	0	0	112	R415 E479	R415-P475 HydrophobicContact CB-CB 4.23Å; R415-P475 WeakPolarHBondContact CD-O 3.47Å; R415-P475 PolarHBondContact NH1-O 3.24Å; P475-E479 VanDerWaalsContact CA-OE2 3.29Å; P475-E479 WeakPolarHBondContact CA-OE2 2.85Å
476	T	98.6	Very high	98.5	Very high	23 Å²	23	44.2 Å²	44.2	14%	0.141	24%	0.239	C	C	.	.			trans	-139.1	157.7	171.5	64.3	0	0	0	0	112	N413 A473 S478 E479	N413-T476 PolarHBondContact ND2-O 2.94Å; A473-T476 HydrophobicContact CB-CG2 3.85Å; A473-T476 WeakPolarHBondContact O-CB 3.42Å; A473-T476 VanDerWaalsContact O-CG2 3.27Å; A473-T476 WeakPolarHBondContact O-CG2 3.31Å; A473-T476 PolarHBondContact O-N 2.86Å; A473-T476 PolarHBondContact O-OG1 3.4Å; T476-S478 PolarHBondContact O-N 2.88Å; T476-S478 PolarHBondContact OG1-OG 3.4Å; T476-E479 PolarHBondContact N-OE2 3.16Å; T476-E479 PolarHBondContact O-N 3.48Å
477	V	98	Very high	98.5	Very high	10 Å²	10	41 Å²	41	6%	0.061	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-28.1	173.3	-177.7	0	0	0	0	110.8	M410 R415 F426 P445 L450 E479 A480	M410-V477 HydrophobicContact SD-CG1 4.16Å; R415-V477 HydrophobicContact CB-CG2 4.32Å; R415-V477 HydrophobicContact CG-CG2 4.24Å; F426-V477 HydrophobicContact CE2-CG1 4.2Å; F426-V477 HydrophobicContact CZ-CG1 3.9Å; P445-V477 HydrophobicContact CG-CG1 4.15Å; P445-V477 HydrophobicContact CG-CG2 4.1Å; P445-V477 WeakPolarHBondContact O-CG1 3.15Å; L450-V477 HydrophobicContact CD1-CB 3.93Å; L450-V477 HydrophobicContact CD1-CG1 3.67Å; V477-E479 PolarHBondContact O-N 2.78Å; V477-E479 VanDerWaalsContact O-N 3.14Å; V477-A480 VanDerWaalsContact O-CB 3.31Å; V477-A480 WeakPolarHBondContact O-CB 3.35Å; V477-A480 PolarHBondContact O-N 2.87Å
478	S	98.5	Very high	98.4	Very high	18 Å²	18	40.7 Å²	40.7	13%	0.126	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.5	178.1	64.7	0	0	0	0	113	H472 T476 A480 L481 R482	H472-S478 VanDerWaalsContact CD2-C 3.47Å; H472-S478 PolarHBondContact CD2-O 3.04Å; H472-S478 PolarHBondContact CD2-OG 3.4Å; T476-S478 PolarHBondContact O-N 2.88Å; T476-S478 PolarHBondContact OG1-OG 3.4Å; S478-A480 PolarHBondContact O-N 3.28Å; S478-A480 VanDerWaalsContact O-N 3.11Å; S478-L481 WeakPolarHBondContact O-CA 3.32Å; S478-L481 WeakPolarHBondContact O-CB 3.22Å; S478-L481 PolarHBondContact O-N 2.92Å; S478-R482 PolarHBondContact O-N 2.82Å
479	E	98.6	Very high	98.4	Very high	26 Å²	26	43.4 Å²	43.4	12%	0.121	23%	0.233	C	C	.	.	H	α-helix	trans	-56.1	-28.1	170.4	-63.7	177.7	89.2	0	0	112.8	H472 A473 H474 P475 T476 V477 L481 R482 E483	H472-E479 HydrophobicContact CB-CG 4.18Å; A473-E479 WeakPolarHBondContact O-CG 3.08Å; H474-E479 IonicContact CE1-OE1 3.77Å; H474-E479 IonicContact CE1-OE2 3.09Å; H474-E479 IonicContact CG-OE1 3.59Å; H474-E479 IonicContact CG-OE2 2.74Å; H474-E479 VanDerWaalsContact ND1-CD 3.28Å; H474-E479 IonicContact ND1-OE1 2.74Å; H474-E479 PolarHBondContact ND1-OE1 3.46Å; H474-E479 IonicContact ND1-OE2 3.9Å; H474-E479 PolarHBondContact ND1-OE2 3.48Å; H474-E479 VanDerWaalsContact ND1-OE2 3.09Å; P475-E479 VanDerWaalsContact CA-OE2 3.29Å; P475-E479 WeakPolarHBondContact CA-OE2 2.85Å; T476-E479 PolarHBondContact N-OE2 3.16Å; T476-E479 PolarHBondContact O-N 3.48Å; V477-E479 PolarHBondContact O-N 2.78Å; V477-E479 VanDerWaalsContact O-N 3.14Å; E479-L481 VanDerWaalsContact C-N 3.33Å; E479-R482 WeakPolarHBondContact O-CB 3.48Å; E479-R482 PolarHBondContact O-N 2.86Å; E479-E483 WeakPolarHBondContact O-CB 3.34Å; E479-E483 WeakPolarHBondContact O-CG 3.27Å; E479-E483 PolarHBondContact O-N 3.5Å
480	A	98.6	Very high	98.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.8	-31.4	173.9	0	0	0	0	0	113	F408 M410 F426 V477 S478 E483 S484	F408-A480 HydrophobicContact CD1-CB 3.6Å; F408-A480 HydrophobicContact CE1-CB 4.17Å; M410-A480 HydrophobicContact CE-CB 3.32Å; M410-A480 HydrophobicContact SD-CB 4.23Å; F426-A480 HydrophobicContact CD2-CB 3.57Å; F426-A480 HydrophobicContact CE2-CB 3.93Å; F426-A480 HydrophobicContact CG-CB 4.17Å; V477-A480 VanDerWaalsContact O-CB 3.31Å; V477-A480 WeakPolarHBondContact O-CB 3.35Å; V477-A480 PolarHBondContact O-N 2.87Å; S478-A480 PolarHBondContact O-N 3.28Å; S478-A480 VanDerWaalsContact O-N 3.11Å; A480-E483 PolarHBondContact O-N 2.82Å; A480-S484 WeakPolarHBondContact O-CB 3.37Å; A480-S484 PolarHBondContact O-N 2.93Å; A480-S484 PolarHBondContact O-OG 3.47Å
481	L	98.6	Very high	98.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-50.2	173.6	174.4	59.3	0	0	0	108.7	F426 V440 L442 E453 V467 S478 E479 E483 S484 C485	F426-L481 HydrophobicContact CD2-CB 4.2Å; V440-L481 HydrophobicContact CG1-CD1 3.69Å; L442-L481 HydrophobicContact CD2-CD1 4.42Å; E453-L481 HydrophobicContact CB-CD2 4.13Å; E453-L481 HydrophobicContact CG-CD2 4.09Å; V467-L481 HydrophobicContact CG1-CG 4.2Å; S478-L481 WeakPolarHBondContact O-CA 3.32Å; S478-L481 WeakPolarHBondContact O-CB 3.22Å; S478-L481 PolarHBondContact O-N 2.92Å; E479-L481 VanDerWaalsContact C-N 3.33Å; L481-E483 VanDerWaalsContact C-N 3.33Å; L481-E483 PolarHBondContact O-N 3.09Å; L481-S484 PolarHBondContact O-N 3.25Å; L481-S484 PolarHBondContact O-OG 2.96Å; L481-C485 PolarHBondContact O-N 3.21Å
482	R	98.5	Very high	98	Very high	67 Å²	67	39.2 Å²	39.2	25%	0.253	22%	0.223	S	C	.	.	H	α-helix	trans	-49.4	-51.4	172.3	-175.6	-173.2	166.5	-96.8	-5	112.5	A468 S478 E479 C485 L486	A468-R482 WeakPolarHBondContact O-CG 3.37Å; A468-R482 PolarHBondContact O-NE 3.46Å; A468-R482 VanDerWaalsContact O-NE 3.09Å; S478-R482 PolarHBondContact O-N 2.82Å; E479-R482 WeakPolarHBondContact O-CB 3.48Å; E479-R482 PolarHBondContact O-N 2.86Å; R482-C485 PolarHBondContact O-N 2.97Å; R482-L486 WeakPolarHBondContact O-CB 3.29Å; R482-L486 PolarHBondContact O-N 2.9Å
483	E	98.7	Very high	98	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-68.5	-35.7	-177.7	-69.4	-77.1	-175.4	0	0	112.5	F408 E479 A480 L481 L486 S487 A493 I494 N495	F408-E483 HydrophobicContact CB-CB 3.97Å; F408-E483 HydrophobicContact CD1-CB 4.12Å; F408-E483 HydrophobicContact CD2-CB 3.29Å; F408-E483 HydrophobicContact CD2-CG 3.94Å; F408-E483 HydrophobicContact CE1-CB 4.42Å; F408-E483 HydrophobicContact CE1-CG 4.45Å; F408-E483 HydrophobicContact CE2-CB 3.65Å; F408-E483 HydrophobicContact CE2-CG 3.73Å; F408-E483 HydrophobicContact CG-CB 3.52Å; F408-E483 HydrophobicContact CG-CG 4.36Å; F408-E483 HydrophobicContact CZ-CB 4.2Å; F408-E483 HydrophobicContact CZ-CG 4Å; E479-E483 WeakPolarHBondContact O-CB 3.34Å; E479-E483 WeakPolarHBondContact O-CG 3.27Å; E479-E483 PolarHBondContact O-N 3.5Å; A480-E483 PolarHBondContact O-N 2.82Å; L481-E483 VanDerWaalsContact C-N 3.33Å; L481-E483 PolarHBondContact O-N 3.09Å; E483-L486 PolarHBondContact O-N 3.01Å; E483-S487 VanDerWaalsContact O-CB 3.32Å; E483-S487 WeakPolarHBondContact O-CB 3.48Å; E483-S487 PolarHBondContact O-N 3.23Å; E483-A493 HydrophobicContact CB-CB 4.28Å; E483-A493 WeakPolarHBondContact OE2-CA 3.27Å; E483-A493 VanDerWaalsContact OE2-CB 3.32Å; E483-A493 WeakPolarHBondContact OE2-CB 3.41Å; E483-I494 PolarHBondContact OE2-N 2.94Å; E483-N495 PolarHBondContact OE1-ND2 3.39Å
484	S	98.6	Very high	97.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-40.7	173.6	74.8	0	0	0	0	111.7	G406 A480 L481 S487 A488	G406-S484 CarbonylContact C-O 3.55Å; G406-S484 VanDerWaalsContact CA-O 3.28Å; G406-S484 WeakPolarHBondContact CA-O 3.5Å; A480-S484 WeakPolarHBondContact O-CB 3.37Å; A480-S484 PolarHBondContact O-N 2.93Å; A480-S484 PolarHBondContact O-OG 3.47Å; L481-S484 PolarHBondContact O-N 3.25Å; L481-S484 PolarHBondContact O-OG 2.96Å; S484-S487 PolarHBondContact O-N 3.25Å; S484-A488 PolarHBondContact O-N 3.4Å
485	C	98.7	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-39.6	173.7	-70.3	0	0	0	0	111.8	A464 V467 A468 L481 R482 S487 A488 F489	A464-C485 HydrophobicContact CB-CB 4.33Å; A464-C485 WeakPolarHBondContact O-CB 3.35Å; V467-C485 HydrophobicContact CB-CB 4.01Å; V467-C485 HydrophobicContact CG1-CB 4.08Å; A468-C485 HydrophobicContact CB-CB 4.48Å; L481-C485 PolarHBondContact O-N 3.21Å; R482-C485 PolarHBondContact O-N 2.97Å; C485-S487 PolarHBondContact O-N 3.27Å; C485-A488 WeakPolarHBondContact O-CB 3.5Å; C485-A488 PolarHBondContact O-N 3.25Å; C485-F489 WeakPolarHBondContact O-CB 3.39Å; C485-F489 PolarHBondContact O-N 2.74Å
486	L	98.5	Very high	97.7	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.12	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-45.4	174.9	-176.9	64.1	0	0	0	111.4	A468 R482 E483 A488 F489 C490 I494	A468-L486 HydrophobicContact CB-CB 3.82Å; A468-L486 HydrophobicContact CB-CD1 3.98Å; R482-L486 WeakPolarHBondContact O-CB 3.29Å; R482-L486 PolarHBondContact O-N 2.9Å; E483-L486 PolarHBondContact O-N 3.01Å; L486-A488 VanDerWaalsContact C-N 3.31Å; L486-A488 PolarHBondContact O-N 2.76Å; L486-F489 HydrophobicContact CD1-CD1 4.35Å; L486-F489 PolarHBondContact O-N 3.09Å; L486-C490 PolarHBondContact O-N 2.74Å; L486-C490 PolarHBondContact O-SG 2.75Å; L486-I494 HydrophobicContact CD2-CD1 4.12Å; L486-I494 HydrophobicContact CD2-CG1 3.65Å
487	S	98.4	Very high	96.6	Very high	21 Å²	21	48.9 Å²	48.9	15%	0.147	28%	0.276	C	S	.	.	H	α-helix	trans	-59.9	-40.3	174	175.6	0	0	0	0	111.8	G406 K407 E483 S484 C485 G491	G406-S487 WeakPolarHBondContact CA-OG 3.47Å; K407-S487 PolarHBondContact N-OG 2.64Å; E483-S487 VanDerWaalsContact O-CB 3.32Å; E483-S487 WeakPolarHBondContact O-CB 3.48Å; E483-S487 PolarHBondContact O-N 3.23Å; S484-S487 PolarHBondContact O-N 3.25Å; C485-S487 PolarHBondContact O-N 3.27Å; S487-G491 CarbonylContact O-C 3.55Å; S487-G491 WeakPolarHBondContact O-CA 3.37Å; S487-G491 PolarHBondContact O-N 3.47Å
488	A	98.2	Very high	96.5	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.033	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-43.9	175.7	0	0	0	0	0	111.2	K404 G406 A428 A430 A464 S484 C485 L486	K404-A488 WeakPolarHBondContact CD-O 3.33Å; K404-A488 WeakPolarHBondContact CE-O 3.44Å; K404-A488 WeakPolarHBondContact CG-O 3.27Å; K404-A488 PolarHBondContact NZ-O 3.29Å; G406-A488 VanDerWaalsContact CA-N 3.33Å; A428-A488 HydrophobicContact CB-CB 4.34Å; A430-A488 HydrophobicContact CB-CB 4.42Å; A464-A488 HydrophobicContact CB-CB 4.15Å; S484-A488 PolarHBondContact O-N 3.4Å; C485-A488 WeakPolarHBondContact O-CB 3.5Å; C485-A488 PolarHBondContact O-N 3.25Å; L486-A488 VanDerWaalsContact C-N 3.31Å; L486-A488 PolarHBondContact O-N 2.76Å
489	F	97	Very high	96.4	Very high	60 Å²	60	52.6 Å²	52.6	26%	0.263	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-60.9	-177.5	165.1	-123.6	0	0	0	112.4	K404 D435 A464 E465 C485 L486	K404-F489 PolarHBondContact NZ-O 2.8Å; D435-F489 WeakPolarHBondContact OD2-CD2 3.33Å; A464-F489 HydrophobicContact CB-CB 4.07Å; E465-F489 HydrophobicContact CB-CD1 4.09Å; E465-F489 HydrophobicContact CB-CD2 3.6Å; E465-F489 HydrophobicContact CB-CE1 4.18Å; E465-F489 HydrophobicContact CB-CE2 3.7Å; E465-F489 HydrophobicContact CB-CG 3.81Å; E465-F489 HydrophobicContact CB-CZ 4Å; E465-F489 HydrophobicContact CG-CD1 4.09Å; E465-F489 HydrophobicContact CG-CD2 4.21Å; E465-F489 HydrophobicContact CG-CE1 3.75Å; E465-F489 HydrophobicContact CG-CE2 3.88Å; E465-F489 HydrophobicContact CG-CG 4.31Å; E465-F489 HydrophobicContact CG-CZ 3.64Å; E465-F489 WeakPolarHBondContact OE1-CZ 3.35Å; E465-F489 VanDerWaalsContact OE2-CE2 3.27Å; E465-F489 WeakPolarHBondContact OE2-CE2 3.47Å; E465-F489 WeakPolarHBondContact OE2-CZ 3.46Å; C485-F489 WeakPolarHBondContact O-CB 3.39Å; C485-F489 PolarHBondContact O-N 2.74Å; L486-F489 HydrophobicContact CD1-CD1 4.35Å; L486-F489 PolarHBondContact O-N 3.09Å
490	C	96.2	Very high	96.3	Very high	74 Å²	74	54.1 Å²	54.1	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-114.5	4.8	-169.3	70.4	0	0	0	0	114.5	L486	L486-C490 PolarHBondContact O-N 2.74Å; L486-C490 PolarHBondContact O-SG 2.75Å
491	G	96.2	Very high	96.2	Very high	55 Å²	55	57.2 Å²	57.2	57%	0.567	32%	0.323	S	S	*	.	S	Bend	trans	87.5	-3.8	172.8	0	0	0	0	0	115.5	S487	S487-G491 CarbonylContact O-C 3.55Å; S487-G491 WeakPolarHBondContact O-CA 3.37Å; S487-G491 PolarHBondContact O-N 3.47Å
492	K	96.1	Very high	96	Very high	159 Å²	159	60.7 Å²	60.7	69%	0.691	34%	0.343	S	S	*	.			trans	-143.7	133.6	-179.5	-64.1	-176.1	-179	179.8	0	111.7
493	A	97.1	Very high	95.8	Very high	13 Å²	13	60.3 Å²	60.3	11%	0.107	35%	0.349	C	S	.	.			trans	-77.5	160.3	162.5	0	0	0	0	0	109.7	F408 E483 F496	F408-A493 HydrophobicContact CD2-CB 3.84Å; F408-A493 HydrophobicContact CE2-CB 4.17Å; E483-A493 HydrophobicContact CB-CB 4.28Å; E483-A493 WeakPolarHBondContact OE2-CA 3.27Å; E483-A493 VanDerWaalsContact OE2-CB 3.32Å; E483-A493 WeakPolarHBondContact OE2-CB 3.41Å; A493-F496 HydrophobicContact CB-CB 4.31Å
494	I	97.9	Very high	95.6	Very high	124 Å²	124	64.4 Å²	64.4	64%	0.636	37%	0.373	S	S	*	.	S	Bend	trans	-79.1	-43	174.1	-59.5	-57.2	0	0	0	110.5	E483 L486	E483-I494 PolarHBondContact OE2-N 2.94Å; L486-I494 HydrophobicContact CD2-CD1 4.12Å; L486-I494 HydrophobicContact CD2-CG1 3.65Å
495	N	97.2	Very high	95.4	Very high	97 Å²	97	69.3 Å²	69.3	52%	0.519	40%	0.401	S	S	.	.	S	Bend	trans	-98.4	9.6	-170.4	-69.7	-72.4	0	0	0	114.2	F408 E483	F408-N495 HydrophobicContact CE2-CB 3.87Å; F408-N495 HydrophobicContact CZ-CB 3.81Å; E483-N495 PolarHBondContact OE1-ND2 3.39Å
496	F	94.5	Very high	95.1	Very high	100 Å²	100	75.1 Å²	75.1	44%	0.439	44%	0.435	S	S	.	.			trans	-152.8	136.8	177.9	-174.6	-109.5	0	0	0	110.2	F408 P409 A412 A493	F408-F496 HydrophobicContact CD2-CB 3.79Å; F408-F496 HydrophobicContact CE2-CB 3.6Å; P409-F496 HydrophobicContact CG-CD1 4.07Å; P409-F496 HydrophobicContact CG-CD2 3.54Å; P409-F496 HydrophobicContact CG-CE1 4.04Å; P409-F496 HydrophobicContact CG-CE2 3.52Å; P409-F496 HydrophobicContact CG-CG 3.83Å; P409-F496 HydrophobicContact CG-CZ 3.78Å; A412-F496 HydrophobicContact CB-CB 4.15Å; A412-F496 HydrophobicContact CB-CD2 4.16Å; A412-F496 HydrophobicContact CB-CG 4.49Å; A493-F496 HydrophobicContact CB-CB 4.31Å
497	S	74.2	Confident	94.8	Very high	171 Å²	171	79.8 Å²	79.8	100%	1.196	46%	0.463	S	S	*	.			trans	-108.1	0	-175.9	47.9	0	0	0	0	114.2

Retrieved 497 of 497 residues in 189.1 ms (Link to these results)

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