A0A077Z529_TRITR Loading...

Leucine Rich Repeat family protein

AlphaFold DB , UniProt , Accession A0A077Z529, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 568 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	35.4	Very low	40.6	Very low	247 Å²	247	131.5 Å²	131.5	100%	1.217	73%	0.729	S	S	*	*				0	139.1	0	-80.6	173.6	177.9	0	0	107.7
2	A	36.4	Very low	40.6	Very low	92 Å²	92	128.9 Å²	128.9	76%	0.76	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-52.8	139.7	-156.5	0	0	0	0	0	115.5
3	S	36.4	Very low	40.2	Very low	107 Å²	107	130.1 Å²	130.1	75%	0.748	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-46.9	132.2	165.9	43	0	0	0	0	112.7	P5	S3-P5 WeakPolarHBondContact O-CD 3.28Å
4	F	39.3	Very low	39.9	Very low	193 Å²	193	131.8 Å²	131.8	85%	0.846	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-81	120	166.1	-86	-102.7	0	0	0	110.1
5	P	43.2	Very low	39.5	Very low	94 Å²	94	127.8 Å²	127.8	61%	0.61	70%	0.696	S	S	*	*			trans	-128.7	57.2	162.6	39.4	-21.2	0	0	0	110.9	S3	S3-P5 WeakPolarHBondContact O-CD 3.28Å
6	D	41.2	Very low	39.1	Very low	120 Å²	120	125.8 Å²	125.8	64%	0.642	69%	0.693	S	S	*	*	S	Bend	trans	-129.1	-6.9	174.8	-75.9	-42.7	0	0	0	114.9
7	C	42.7	Very low	38.7	Very low	95 Å²	95	131.2 Å²	131.2	64%	0.642	70%	0.7	S	S	*	*	H	α-helix	trans	-84.3	-18.4	176.9	-73	0	0	0	0	114.4
8	V	44.6	Very low	38.5	Very low	108 Å²	108	132.7 Å²	132.7	66%	0.655	70%	0.7	S	S	*	*	H	α-helix	trans	-80.4	-29.5	-179.4	-178.8	0	0	0	0	111.7	L10 I12	V8-L10 PolarHBondContact O-N 3.41Å; V8-I12 HydrophobicContact CG1-CD1 4.14Å; V8-I12 WeakPolarHBondContact O-CG1 3.08Å; V8-I12 PolarHBondContact O-N 3Å
9	L	43.3	Very low	38.2	Very low	107 Å²	107	130.9 Å²	130.9	56%	0.56	70%	0.7	S	S	*	*	H	α-helix	trans	-69.6	-32.8	177.6	-106.8	93.6	0	0	0	112.8	I12 F13	L9-I12 PolarHBondContact O-N 2.69Å; L9-F13 HydrophobicContact CD2-CE2 4.27Å; L9-F13 WeakPolarHBondContact O-CB 3.47Å; L9-F13 WeakPolarHBondContact O-CD2 3.31Å; L9-F13 PolarHBondContact O-N 2.71Å
10	L	44.6	Very low	38.1	Very low	110 Å²	110	132.4 Å²	132.4	58%	0.576	70%	0.699	S	S	*	*	H	α-helix	trans	-72.4	-33	-177.3	-111.8	143.8	0	0	0	113.1	V8 F13 F14	V8-L10 PolarHBondContact O-N 3.41Å; L10-F13 PolarHBondContact O-N 3.24Å; L10-F14 HydrophobicContact CD2-CD2 4.11Å; L10-F14 HydrophobicContact CD2-CE2 4.06Å; L10-F14 PolarHBondContact O-N 3.09Å; L10-F14 VanDerWaalsContact O-N 3.07Å
11	F	39.9	Very low	38.3	Very low	174 Å²	174	131.8 Å²	131.8	76%	0.763	70%	0.701	S	S	*	*	H	α-helix	trans	-72.6	-32.3	173.3	-96.5	-83.5	0	0	0	112.6	A15	F11-A15 VanDerWaalsContact O-CB 3.25Å; F11-A15 WeakPolarHBondContact O-CB 3.47Å; F11-A15 PolarHBondContact O-N 3.33Å
12	I	40.1	Very low	38.9	Very low	100 Å²	100	127.3 Å²	127.3	51%	0.513	68%	0.675	S	S	.	*	H	α-helix	trans	-72.8	-34.7	173.7	-61.7	172.3	0	0	0	110.6	V8 L9 C16	V8-I12 HydrophobicContact CG1-CD1 4.14Å; V8-I12 WeakPolarHBondContact O-CG1 3.08Å; V8-I12 PolarHBondContact O-N 3Å; L9-I12 PolarHBondContact O-N 2.69Å; I12-C16 WeakPolarHBondContact O-CB 3.36Å; I12-C16 PolarHBondContact O-N 3.42Å; I12-C16 VanDerWaalsContact O-N 3.1Å
13	F	36.1	Very low	39.8	Very low	144 Å²	144	124.3 Å²	124.3	63%	0.632	65%	0.649	S	S	*	*	H	α-helix	trans	-70.1	-33	175.7	-99.6	-85.1	0	0	0	113.9	L9 L10	L9-F13 HydrophobicContact CD2-CE2 4.27Å; L9-F13 WeakPolarHBondContact O-CB 3.47Å; L9-F13 WeakPolarHBondContact O-CD2 3.31Å; L9-F13 PolarHBondContact O-N 2.71Å; L10-F13 PolarHBondContact O-N 3.24Å
14	F	36.1	Very low	41.4	Very low	154 Å²	154	126.5 Å²	126.5	68%	0.675	65%	0.647	S	S	*	*	H	α-helix	trans	-81.4	-29.2	174.2	-93.4	-84.4	0	0	0	113.5	L10	L10-F14 HydrophobicContact CD2-CD2 4.11Å; L10-F14 HydrophobicContact CD2-CE2 4.06Å; L10-F14 PolarHBondContact O-N 3.09Å; L10-F14 VanDerWaalsContact O-N 3.07Å
15	A	32.6	Very low	43.5	Very low	72 Å²	72	119.9 Å²	119.9	60%	0.595	62%	0.624	S	S	*	*	H	α-helix	trans	-77.2	-26.1	176.5	0	0	0	0	0	113.6	F11	F11-A15 VanDerWaalsContact O-CB 3.25Å; F11-A15 WeakPolarHBondContact O-CB 3.47Å; F11-A15 PolarHBondContact O-N 3.33Å
16	C	33.7	Very low	45.5	Very low	96 Å²	96	116.5 Å²	116.5	65%	0.649	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	11.5	-176.1	-85.4	0	0	0	0	116.3	I12	I12-C16 WeakPolarHBondContact O-CB 3.36Å; I12-C16 PolarHBondContact O-N 3.42Å; I12-C16 VanDerWaalsContact O-N 3.1Å
17	R	32.1	Very low	47.6	Very low	218 Å²	218	116.9 Å²	116.9	82%	0.823	60%	0.603	S	S	*	*	S	Bend	trans	-117.3	-6.8	172.3	-73.1	-123.8	-178	-175	1.6	115.5	S19	R17-S19 PolarHBondContact O-N 2.84Å
18	F	35.2	Very low	50	Low	158 Å²	158	113.6 Å²	113.6	69%	0.693	58%	0.581	S	S	*	*			trans	-97.7	69.6	161.1	-78.9	-85.8	0	0	0	108.8	F20	F18-F20 HydrophobicContact CB-CD2 4.25Å; F18-F20 HydrophobicContact CB-CE2 4.49Å; F18-F20 HydrophobicContact CD1-CE2 4.28Å; F18-F20 PolarHBondContact O-N 3.46Å
19	S	32.9	Very low	52.3	Low	99 Å²	99	116.2 Å²	116.2	69%	0.692	58%	0.579	S	S	*	*			trans	-61.4	90.2	148.3	-63.2	0	0	0	0	105.4	R17 V21	R17-S19 PolarHBondContact O-N 2.84Å; S19-V21 PolarHBondContact O-N 2.77Å
20	F	36.4	Very low	54.6	Low	159 Å²	159	119.8 Å²	119.8	70%	0.697	59%	0.592	S	S	*	*			trans	-59.1	80.6	150.5	-89.9	-91.6	0	0	0	104.8	F18 F22	F18-F20 HydrophobicContact CB-CD2 4.25Å; F18-F20 HydrophobicContact CB-CE2 4.49Å; F18-F20 HydrophobicContact CD1-CE2 4.28Å; F18-F20 PolarHBondContact O-N 3.46Å; F20-F22 PolarHBondContact O-N 3.14Å
21	V	43	Very low	56.9	Low	120 Å²	120	117 Å²	117	73%	0.727	58%	0.581	S	S	*	*			trans	-62.5	98.6	157.8	-179.9	0	0	0	0	102	S19 S23	S19-V21 PolarHBondContact O-N 2.77Å; V21-S23 PolarHBondContact O-N 2.89Å
22	F	46.5	Very low	59.6	Low	153 Å²	153	109 Å²	109	67%	0.671	55%	0.546	S	S	*	.			trans	-45.7	112.6	164.9	-74	-88.4	0	0	0	105.4	F20 Q24	F20-F22 PolarHBondContact O-N 3.14Å; F22-Q24 HydrophobicContact CB-CG 4.18Å; F22-Q24 PolarHBondContact O-N 2.89Å
23	S	55.2	Low	62.2	Low	30 Å²	30	110.7 Å²	110.7	21%	0.21	55%	0.547	C	S	.	.			trans	-69.8	73.8	175	47.6	0	0	0	0	106.8	V21 S36 T37 E40	V21-S23 PolarHBondContact O-N 2.89Å; S23-S36 VanDerWaalsContact CB-OG 3.25Å; S23-S36 WeakPolarHBondContact CB-OG 3.11Å; S23-S36 VanDerWaalsContact O-CB 3.32Å; S23-S36 WeakPolarHBondContact O-CB 3.23Å; S23-S36 PolarHBondContact O-OG 2.9Å; S23-S36 PolarHBondContact OG-OG 3.29Å; S23-T37 PolarHBondContact OG-O 3.24Å; S23-T37 VanDerWaalsContact OG-O 3.06Å; S23-E40 PolarHBondContact OG-O 3.06Å
24	Q	71.8	Confident	64.9	Low	152 Å²	152	105.2 Å²	105.2	71%	0.71	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-79	135.5	167.4	-66	-171.2	8.3	0	0	107	F22 P26	F22-Q24 HydrophobicContact CB-CG 4.18Å; F22-Q24 PolarHBondContact O-N 2.89Å; Q24-P26 WeakPolarHBondContact O-CD 3.32Å
25	C	82.8	Confident	67.4	Low	55 Å²	55	100.8 Å²	100.8	37%	0.372	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-57.7	123.9	172.7	-89.2	0	0	0	0	109.7	C34 S35 S36	C25-C34 WeakPolarHBondContact CA-SG 3.35Å; C25-C34 HydrophobicContact CB-CB 3.62Å; C25-C34 WeakPolarHBondContact CB-SG 3.31Å; C25-C34 WeakPolarHBondContact SG-CB 3.35Å; C25-C34 PolarHBondContact SG-O 3.38Å; C25-C34 VanDerWaalsContact SG-O 3.39Å; C25-C34 CovalentContact SG-SG 2.04Å; C25-C34 PolarHBondContact SG-SG 3.42Å; C25-S35 VanDerWaalsContact SG-C 3.58Å; C25-S36 VanDerWaalsContact SG-CB 3.53Å
26	P	84.1	Confident	69.9	Low	23 Å²	23	98.6 Å²	98.6	15%	0.149	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-65.1	169	172.1	28.1	-34.4	0	0	0	110.5	Q24 V28 T62 V65	Q24-P26 WeakPolarHBondContact O-CD 3.32Å; P26-V28 HydrophobicContact CG-CG2 4.32Å; P26-V28 PolarHBondContact O-N 2.77Å; P26-T62 HydrophobicContact CB-CG2 3.85Å; P26-T62 HydrophobicContact CG-CG2 3.31Å; P26-V65 HydrophobicContact CB-CG2 4.16Å; P26-V65 HydrophobicContact CG-CG2 4.31Å
27	L	86.3	Confident	71.6	Confident	127 Å²	127	97 Å²	97	67%	0.665	48%	0.482	S	S	*	.			trans	-64.7	100.5	174.9	-172.4	76.6	0	0	0	109.7
28	V	91.7	Very high	73.4	Confident	27 Å²	27	91.4 Å²	91.4	16%	0.164	48%	0.476	C	S	.	.			trans	-109.7	136.6	172.5	177.9	0	0	0	0	108.2	P26 C32 C34 I44 I59 T62	P26-V28 HydrophobicContact CG-CG2 4.32Å; P26-V28 PolarHBondContact O-N 2.77Å; V28-C32 HydrophobicContact CG1-CB 3.48Å; V28-C32 VanDerWaalsContact CG1-CB 3.48Å; V28-C34 HydrophobicContact CB-CB 4.33Å; V28-C34 HydrophobicContact CG2-CB 3.98Å; V28-I44 HydrophobicContact CG1-CG2 4.38Å; V28-I44 HydrophobicContact CG2-CD1 4.13Å; V28-I44 HydrophobicContact CG2-CG1 4.44Å; V28-I59 HydrophobicContact CG1-CG2 4.15Å; V28-T62 HydrophobicContact CG2-CG2 3.89Å
29	R	93.1	Very high	75.1	Confident	163 Å²	163	91.7 Å²	91.7	62%	0.615	48%	0.484	S	S	*	.			trans	-104.6	161.3	179.1	-59.5	179.1	-178.2	175.3	1.3	110.7	C32 A58	R29-C32 CarbonylContact C-O 3.55Å; R29-C32 CarbonylContact O-C 3.28Å; R29-C32 PolarHBondContact O-N 3.24Å; R29-A58 HydrophobicContact CB-CB 4.5Å; R29-A58 PolarHBondContact N-O 2.97Å; R29-A58 WeakPolarHBondContact O-CB 3.49Å
30	E	92.6	Very high	77.1	Confident	181 Å²	181	91.9 Å²	91.9	85%	0.846	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	144.4	165.7	-73	-174.8	-179.6	0	0	110.8	C32	E30-C32 VanDerWaalsContact C-N 3.34Å
31	P	93.1	Very high	79.5	Confident	51 Å²	51	87.6 Å²	87.6	33%	0.331	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.3	10.7	10.2	35.8	-36.6	0	0	0	114.7	A49	P31-A49 HydrophobicContact CB-CB 4.27Å; P31-A49 HydrophobicContact CG-CB 3.37Å
32	C	96.6	Very high	81.8	Confident	6 Å²	6	82.2 Å²	82.2	4%	0.041	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	154.8	178.7	-58.2	0	0	0	0	111	V28 R29 E30 I44 V45 C46 A58 I59	V28-C32 HydrophobicContact CG1-CB 3.48Å; V28-C32 VanDerWaalsContact CG1-CB 3.48Å; R29-C32 CarbonylContact C-O 3.55Å; R29-C32 CarbonylContact O-C 3.28Å; R29-C32 PolarHBondContact O-N 3.24Å; E30-C32 VanDerWaalsContact C-N 3.34Å; C32-I44 HydrophobicContact CB-CG2 4.34Å; C32-V45 WeakPolarHBondContact CA-O 3.42Å; C32-C46 HydrophobicContact CB-CB 4.11Å; C32-C46 WeakPolarHBondContact CB-SG 3.28Å; C32-C46 WeakPolarHBondContact SG-CB 3.29Å; C32-C46 CovalentContact SG-SG 2.03Å; C32-C46 PolarHBondContact SG-SG 2.72Å; C32-A58 HydrophobicContact CB-CB 4.2Å; C32-I59 HydrophobicContact CB-CG2 4.14Å
33	Y	94.5	Very high	84.1	Confident	137 Å²	137	76.5 Å²	76.5	54%	0.537	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.1	167.9	65.2	-88.4	0	0	0	110	I44 V45	Y33-I44 WeakPolarHBondContact O-CA 3.42Å; Y33-V45 HydrophobicContact CD1-CB 4.44Å; Y33-V45 HydrophobicContact CE1-CB 3.83Å; Y33-V45 HydrophobicContact CE1-CG1 3.96Å; Y33-V45 HydrophobicContact CE2-CB 4.01Å; Y33-V45 HydrophobicContact CE2-CG2 4.29Å; Y33-V45 PolarHBondContact N-O 3.39Å; Y33-V45 PolarHBondContact O-N 3.48Å
34	C	93.5	Very high	86	Confident	29 Å²	29	75 Å²	75	20%	0.196	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.5	176.4	175.4	0	0	0	0	109.6	C25 V28 S43 I44	C25-C34 WeakPolarHBondContact CA-SG 3.35Å; C25-C34 HydrophobicContact CB-CB 3.62Å; C25-C34 WeakPolarHBondContact CB-SG 3.31Å; C25-C34 WeakPolarHBondContact SG-CB 3.35Å; C25-C34 PolarHBondContact SG-O 3.38Å; C25-C34 VanDerWaalsContact SG-O 3.39Å; C25-C34 CovalentContact SG-SG 2.04Å; C25-C34 PolarHBondContact SG-SG 3.42Å; V28-C34 HydrophobicContact CB-CB 4.33Å; V28-C34 HydrophobicContact CG2-CB 3.98Å; C34-S43 CarbonylContact C-O 3.55Å; C34-S43 WeakPolarHBondContact CA-O 3.24Å; C34-I44 HydrophobicContact CB-CG1 4.31Å
35	S	88.5	Confident	87.2	Confident	60 Å²	60	69.2 Å²	69.2	42%	0.42	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129	168.6	-172.3	0	0	0	0	108.9	C25 S43	C25-S35 VanDerWaalsContact SG-C 3.58Å; S35-S43 PolarHBondContact N-O 3.32Å; S35-S43 PolarHBondContact O-N 2.8Å
36	S	83.3	Confident	87.9	Confident	27 Å²	27	66.6 Å²	66.6	19%	0.189	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	141.7	175.5	-167.3	0	0	0	0	108.8	S23 C25 E40	S23-S36 VanDerWaalsContact CB-OG 3.25Å; S23-S36 WeakPolarHBondContact CB-OG 3.11Å; S23-S36 VanDerWaalsContact O-CB 3.32Å; S23-S36 WeakPolarHBondContact O-CB 3.23Å; S23-S36 PolarHBondContact O-OG 2.9Å; S23-S36 PolarHBondContact OG-OG 3.29Å; C25-S36 VanDerWaalsContact SG-CB 3.53Å; S36-E40 PolarHBondContact OG-O 2.85Å; S36-E40 VanDerWaalsContact OG-O 3.12Å
37	T	70.8	Confident	88.5	Confident	62 Å²	62	70.6 Å²	70.6	38%	0.38	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	172.6	172.3	68.6	0	0	0	0	109.4	S23 L39 E40	S23-T37 PolarHBondContact OG-O 3.24Å; S23-T37 VanDerWaalsContact OG-O 3.06Å; T37-L39 PolarHBondContact O-N 2.74Å; T37-L39 PolarHBondContact OG1-N 3.29Å; T37-E40 WeakPolarHBondContact CG2-OE2 3.33Å; T37-E40 PolarHBondContact O-N 2.79Å; T37-E40 VanDerWaalsContact O-N 3.16Å; T37-E40 VanDerWaalsContact OG1-CB 3.25Å; T37-E40 WeakPolarHBondContact OG1-CB 3.45Å; T37-E40 VanDerWaalsContact OG1-CG 3.25Å; T37-E40 WeakPolarHBondContact OG1-CG 3.38Å; T37-E40 PolarHBondContact OG1-N 2.83Å; T37-E40 VanDerWaalsContact OG1-N 3.14Å; T37-E40 PolarHBondContact OG1-OE2 3.34Å
38	S	68.4	Low	89	Confident	100 Å²	100	69.7 Å²	69.7	70%	0.699	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.2	176.8	55.4	0	0	0	0	114.1
39	L	72.2	Confident	89.1	Confident	164 Å²	164	68.7 Å²	68.7	86%	0.859	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-10.4	179.8	-67	166.9	0	0	0	112.6	T37	T37-L39 PolarHBondContact O-N 2.74Å; T37-L39 PolarHBondContact OG1-N 3.29Å
40	E	75	Confident	89.2	Confident	104 Å²	104	63 Å²	63	49%	0.486	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.5	-177.5	-67.7	174.1	169	0	0	110.5	S23 S36 T37	S23-E40 PolarHBondContact OG-O 3.06Å; S36-E40 PolarHBondContact OG-O 2.85Å; S36-E40 VanDerWaalsContact OG-O 3.12Å; T37-E40 WeakPolarHBondContact CG2-OE2 3.33Å; T37-E40 PolarHBondContact O-N 2.79Å; T37-E40 VanDerWaalsContact O-N 3.16Å; T37-E40 VanDerWaalsContact OG1-CB 3.25Å; T37-E40 WeakPolarHBondContact OG1-CB 3.45Å; T37-E40 VanDerWaalsContact OG1-CG 3.25Å; T37-E40 WeakPolarHBondContact OG1-CG 3.38Å; T37-E40 PolarHBondContact OG1-N 2.83Å; T37-E40 VanDerWaalsContact OG1-N 3.14Å; T37-E40 PolarHBondContact OG1-OE2 3.34Å
41	P	86.2	Confident	89.4	Confident	68 Å²	68	56 Å²	56	44%	0.442	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	166.7	178.3	34.7	-37.8	0	0	0	111.6	S43 D68	P41-S43 PolarHBondContact O-N 2.87Å; P41-D68 HydrophobicContact CB-CB 3.54Å; P41-D68 HydrophobicContact CG-CB 3.57Å; P41-D68 VanDerWaalsContact CG-CG 3.5Å
42	V	91.7	Very high	89.5	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	116.8	-175.5	178.5	0	0	0	0	111.2	I44 V65 D68 S69	V42-I44 HydrophobicContact CG1-CG1 4.29Å; V42-V65 HydrophobicContact CB-CG1 4.41Å; V42-V65 HydrophobicContact CG1-CG1 4.38Å; V42-V65 HydrophobicContact CG2-CG1 4.02Å; V42-D68 PolarHBondContact O-N 2.99Å; V42-S69 PolarHBondContact O-N 3.48Å
43	S	94.2	Very high	89.5	Confident	33 Å²	33	59.5 Å²	59.5	23%	0.231	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.8	174.5	-175.5	0	0	0	0	110.7	C34 S35 P41 S69	C34-S43 CarbonylContact C-O 3.55Å; C34-S43 WeakPolarHBondContact CA-O 3.24Å; S35-S43 PolarHBondContact N-O 3.32Å; S35-S43 PolarHBondContact O-N 2.8Å; P41-S43 PolarHBondContact O-N 2.87Å; S43-S69 CarbonylContact C-O 2.95Å; S43-S69 WeakPolarHBondContact CA-O 3.29Å
44	I	96.1	Very high	89.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.2	-179.5	-57.9	174.8	0	0	0	108.9	V28 C32 Y33 C34 V42 I59 T62 I67 S69 L70 S71	V28-I44 HydrophobicContact CG1-CG2 4.38Å; V28-I44 HydrophobicContact CG2-CD1 4.13Å; V28-I44 HydrophobicContact CG2-CG1 4.44Å; C32-I44 HydrophobicContact CB-CG2 4.34Å; Y33-I44 WeakPolarHBondContact O-CA 3.42Å; C34-I44 HydrophobicContact CB-CG1 4.31Å; V42-I44 HydrophobicContact CG1-CG1 4.29Å; I44-I59 HydrophobicContact CG2-CG2 3.85Å; I44-T62 HydrophobicContact CD1-CG2 3.8Å; I44-I67 HydrophobicContact CD1-CD1 3.92Å; I44-I67 HydrophobicContact CD1-CG1 4.09Å; I44-I67 HydrophobicContact CD1-CG2 4.37Å; I44-I67 HydrophobicContact CG1-CG2 4.49Å; I44-S69 PolarHBondContact N-O 3.16Å; I44-L70 HydrophobicContact CB-CD1 3.84Å; I44-L70 HydrophobicContact CG2-CD1 3.77Å; I44-L70 WeakPolarHBondContact O-CA 3.4Å; I44-S71 PolarHBondContact O-N 3.35Å
45	V	96.6	Very high	89.7	Confident	30 Å²	30	54.3 Å²	54.3	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.5	-179.7	-176.3	0	0	0	0	109.6	C32 Y33 S71	C32-V45 WeakPolarHBondContact CA-O 3.42Å; Y33-V45 HydrophobicContact CD1-CB 4.44Å; Y33-V45 HydrophobicContact CE1-CB 3.83Å; Y33-V45 HydrophobicContact CE1-CG1 3.96Å; Y33-V45 HydrophobicContact CE2-CB 4.01Å; Y33-V45 HydrophobicContact CE2-CG2 4.29Å; Y33-V45 PolarHBondContact N-O 3.39Å; Y33-V45 PolarHBondContact O-N 3.48Å; V45-S71 WeakPolarHBondContact CA-O 3.48Å
46	C	97.4	Very high	90	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	113.3	176.8	-53.5	0	0	0	0	108	C32 V55 S71 I72 T73	C32-C46 HydrophobicContact CB-CB 4.11Å; C32-C46 WeakPolarHBondContact CB-SG 3.28Å; C32-C46 WeakPolarHBondContact SG-CB 3.29Å; C32-C46 CovalentContact SG-SG 2.03Å; C32-C46 PolarHBondContact SG-SG 2.72Å; C46-V55 HydrophobicContact CB-CG1 4.19Å; C46-V55 HydrophobicContact CB-CG2 3.99Å; C46-V55 VanDerWaalsContact SG-CG1 3.57Å; C46-S71 PolarHBondContact N-O 3.17Å; C46-I72 WeakPolarHBondContact O-CA 3.27Å; C46-T73 PolarHBondContact O-N 2.89Å; C46-T73 PolarHBondContact O-OG1 2.84Å
47	H	96.1	Very high	90.6	Very high	106 Å²	106	58.6 Å²	58.6	49%	0.491	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133	177.6	-170.5	71.2	0	0	0	110.1	A49 T73 S74	H47-A49 VanDerWaalsContact C-N 3.31Å; H47-A49 PolarHBondContact O-N 3.17Å; H47-T73 PolarHBondContact ND1-OG1 2.78Å; H47-S74 PolarHBondContact CE1-OG 2.87Å; H47-S74 VanDerWaalsContact CE1-OG 3.26Å
48	N	96.4	Very high	91.7	Very high	109 Å²	109	55.9 Å²	55.9	58%	0.583	31%	0.308	S	S	*	.	S	Bend	trans	50.1	48.4	174	-168.6	29.3	0	0	0	113.4	G50 T73	N48-G50 PolarHBondContact O-N 3.32Å; N48-G50 VanDerWaalsContact O-N 3.13Å; N48-T73 PolarHBondContact N-O 2.9Å
49	A	94.8	Very high	93	Very high	6 Å²	6	51.2 Å²	51.2	5%	0.05	28%	0.275	C	S	.	.			trans	-77.1	4.2	-171.6	0	0	0	0	0	114.6	P31 H47 S51 N54 V55 T75	P31-A49 HydrophobicContact CB-CB 4.27Å; P31-A49 HydrophobicContact CG-CB 3.37Å; H47-A49 VanDerWaalsContact C-N 3.31Å; H47-A49 PolarHBondContact O-N 3.17Å; A49-S51 PolarHBondContact O-N 3.37Å; A49-N54 VanDerWaalsContact O-CB 3.28Å; A49-N54 WeakPolarHBondContact O-CB 3.41Å; A49-N54 PolarHBondContact O-ND2 2.84Å; A49-V55 HydrophobicContact CB-CG2 3.28Å; A49-T75 HydrophobicContact CB-CG2 4.08Å; A49-T75 PolarHBondContact N-OG1 2.86Å
50	G	94.9	Very high	93.9	Very high	44 Å²	44	46.4 Å²	46.4	45%	0.454	26%	0.255	S	S	.	.	S	Bend	trans	75.8	-45.7	-176.3	0	0	0	0	0	114.1	N48 P76	N48-G50 PolarHBondContact O-N 3.32Å; N48-G50 VanDerWaalsContact O-N 3.13Å; G50-P76 WeakPolarHBondContact O-CD 3.46Å; G50-P76 WeakPolarHBondContact O-CG 3.14Å
51	S	96.2	Very high	94.5	Very high	34 Å²	34	43.7 Å²	43.7	24%	0.238	26%	0.255	C	S	.	.	S	Bend	trans	-152	160.6	175.8	73.2	0	0	0	0	112.1	A49 E53 N54 V55 T75	A49-S51 PolarHBondContact O-N 3.37Å; S51-E53 VanDerWaalsContact C-N 3.26Å; S51-E53 PolarHBondContact O-N 2.9Å; S51-E53 PolarHBondContact OG-N 3.14Å; S51-N54 PolarHBondContact O-N 3.46Å; S51-N54 PolarHBondContact OG-N 3.16Å; S51-V55 PolarHBondContact O-N 2.86Å; S51-T75 VanDerWaalsContact C-CG2 3.44Å
52	L	96.5	Very high	94.7	Very high	14 Å²	14	40.5 Å²	40.5	7%	0.073	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-36.9	172.2	-178.9	59.2	0	0	0	111.8	N54 V55 L56 I72 I77 L80 P81 A84 F85	L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 2.81Å; L52-V55 WeakPolarHBondContact O-CB 3.41Å; L52-V55 PolarHBondContact O-N 3.37Å; L52-V55 VanDerWaalsContact O-N 3.11Å; L52-L56 HydrophobicContact CD1-CG 4.3Å; L52-L56 HydrophobicContact CG-CD1 4.13Å; L52-L56 HydrophobicContact CG-CG 4.3Å; L52-L56 WeakPolarHBondContact O-CG 3.18Å; L52-L56 PolarHBondContact O-N 3.42Å; L52-I72 HydrophobicContact CD1-CD1 3.95Å; L52-I77 HydrophobicContact CB-CD1 4.39Å; L52-I77 HydrophobicContact CB-CG1 4.19Å; L52-I77 HydrophobicContact CD1-CD1 4.2Å; L52-I77 HydrophobicContact CD2-CG2 4.21Å; L52-L80 HydrophobicContact CD2-CD1 3.91Å; L52-P81 HydrophobicContact CD2-CG 3.82Å; L52-A84 HydrophobicContact CD2-CB 4.21Å; L52-F85 HydrophobicContact CD1-CE1 4.28Å; L52-F85 HydrophobicContact CD1-CZ 4.29Å
53	E	95.5	Very high	94.4	Very high	116 Å²	116	43.8 Å²	43.8	54%	0.542	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-39.6	179.3	-160.1	-162.5	147.6	0	0	111.9	S51 V55 L56 R57	S51-E53 VanDerWaalsContact C-N 3.26Å; S51-E53 PolarHBondContact O-N 2.9Å; S51-E53 PolarHBondContact OG-N 3.14Å; E53-V55 VanDerWaalsContact C-N 3.3Å; E53-V55 PolarHBondContact O-N 2.87Å; E53-L56 PolarHBondContact O-N 3.34Å; E53-R57 WeakPolarHBondContact O-CB 2.99Å; E53-R57 WeakPolarHBondContact O-CG 3.33Å; E53-R57 PolarHBondContact O-N 2.93Å; E53-R57 IonicContact OE1-CZ 3.99Å; E53-R57 IonicContact OE1-NE 2.83Å; E53-R57 PolarHBondContact OE1-NE 3.37Å; E53-R57 IonicContact OE1-NH2 3.75Å; E53-R57 PolarHBondContact OE1-NH2 3.49Å; E53-R57 IonicContact OE2-NH2 3.64Å; E53-R57 PolarHBondContact OE2-NH2 3.1Å; E53-R57 VanDerWaalsContact OE2-NH2 3.16Å
54	N	96.2	Very high	93.9	Very high	57 Å²	57	50.1 Å²	50.1	31%	0.305	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-40.1	174.6	-72.1	-13.3	0	0	0	111.6	A49 S51 L52 R57 A58	A49-N54 VanDerWaalsContact O-CB 3.28Å; A49-N54 WeakPolarHBondContact O-CB 3.41Å; A49-N54 PolarHBondContact O-ND2 2.84Å; S51-N54 PolarHBondContact O-N 3.46Å; S51-N54 PolarHBondContact OG-N 3.16Å; L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 2.81Å; N54-R57 PolarHBondContact OD1-NH1 3.43Å; N54-A58 VanDerWaalsContact O-CB 3.27Å; N54-A58 WeakPolarHBondContact O-CB 3.33Å; N54-A58 PolarHBondContact O-N 3.02Å
55	V	96.7	Very high	93.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-51.1	174.2	174.4	0	0	0	0	110.8	C46 A49 S51 L52 E53 R57 A58 I59 I72	C46-V55 HydrophobicContact CB-CG1 4.19Å; C46-V55 HydrophobicContact CB-CG2 3.99Å; C46-V55 VanDerWaalsContact SG-CG1 3.57Å; A49-V55 HydrophobicContact CB-CG2 3.28Å; S51-V55 PolarHBondContact O-N 2.86Å; L52-V55 WeakPolarHBondContact O-CB 3.41Å; L52-V55 PolarHBondContact O-N 3.37Å; L52-V55 VanDerWaalsContact O-N 3.11Å; E53-V55 VanDerWaalsContact C-N 3.3Å; E53-V55 PolarHBondContact O-N 2.87Å; V55-R57 VanDerWaalsContact C-N 3.33Å; V55-R57 PolarHBondContact O-N 3.45Å; V55-A58 WeakPolarHBondContact O-CB 3.41Å; V55-A58 PolarHBondContact O-N 2.87Å; V55-A58 VanDerWaalsContact O-N 3.07Å; V55-I59 HydrophobicContact CG1-CD1 4.21Å; V55-I59 WeakPolarHBondContact O-CG1 3.45Å; V55-I59 PolarHBondContact O-N 3.04Å; V55-I72 HydrophobicContact CB-CD1 4.46Å; V55-I72 HydrophobicContact CG1-CD1 3.67Å; V55-I72 HydrophobicContact CG1-CG1 4.05Å; V55-I72 HydrophobicContact CG2-CG2 4.16Å
56	L	95.6	Very high	93.2	Very high	51 Å²	51	57.3 Å²	57.3	27%	0.267	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-40.1	-178.1	-64.3	176.3	0	0	0	112	L52 E53 A58 I59 S60 A84 F85	L52-L56 HydrophobicContact CD1-CG 4.3Å; L52-L56 HydrophobicContact CG-CD1 4.13Å; L52-L56 HydrophobicContact CG-CG 4.3Å; L52-L56 WeakPolarHBondContact O-CG 3.18Å; L52-L56 PolarHBondContact O-N 3.42Å; E53-L56 PolarHBondContact O-N 3.34Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.36Å; L56-I59 HydrophobicContact CD2-CD1 4.43Å; L56-I59 PolarHBondContact O-N 2.8Å; L56-S60 PolarHBondContact O-N 3.29Å; L56-S60 VanDerWaalsContact O-N 3.07Å; L56-A84 VanDerWaalsContact CD1-O 3.27Å; L56-A84 WeakPolarHBondContact CD1-O 3.47Å; L56-A84 WeakPolarHBondContact CD2-O 3.36Å; L56-F85 HydrophobicContact CD2-CD1 4.04Å; L56-F85 HydrophobicContact CD2-CE1 4.2Å
57	R	94.8	Very high	93	Very high	126 Å²	126	57.3 Å²	57.3	48%	0.475	31%	0.314	S	S	.	.	H	α-helix	trans	-62.3	-41.8	173	-72.1	-168.2	-118.3	112.6	-6.6	111.6	E53 N54 V55 I59 S60	E53-R57 WeakPolarHBondContact O-CB 2.99Å; E53-R57 WeakPolarHBondContact O-CG 3.33Å; E53-R57 PolarHBondContact O-N 2.93Å; E53-R57 IonicContact OE1-CZ 3.99Å; E53-R57 IonicContact OE1-NE 2.83Å; E53-R57 PolarHBondContact OE1-NE 3.37Å; E53-R57 IonicContact OE1-NH2 3.75Å; E53-R57 PolarHBondContact OE1-NH2 3.49Å; E53-R57 IonicContact OE2-NH2 3.64Å; E53-R57 PolarHBondContact OE2-NH2 3.1Å; E53-R57 VanDerWaalsContact OE2-NH2 3.16Å; N54-R57 PolarHBondContact OD1-NH1 3.43Å; V55-R57 VanDerWaalsContact C-N 3.33Å; V55-R57 PolarHBondContact O-N 3.45Å; R57-I59 VanDerWaalsContact C-N 3.32Å; R57-I59 PolarHBondContact O-N 2.72Å; R57-S60 PolarHBondContact O-OG 3.01Å
58	A	95	Very high	93	Very high	5 Å²	5	53.9 Å²	53.9	4%	0.041	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-30.8	179.5	0	0	0	0	0	114	R29 C32 N54 V55 L56	R29-A58 HydrophobicContact CB-CB 4.5Å; R29-A58 PolarHBondContact N-O 2.97Å; R29-A58 WeakPolarHBondContact O-CB 3.49Å; C32-A58 HydrophobicContact CB-CB 4.2Å; N54-A58 VanDerWaalsContact O-CB 3.27Å; N54-A58 WeakPolarHBondContact O-CB 3.33Å; N54-A58 PolarHBondContact O-N 3.02Å; V55-A58 WeakPolarHBondContact O-CB 3.41Å; V55-A58 PolarHBondContact O-N 2.87Å; V55-A58 VanDerWaalsContact O-N 3.07Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.36Å
59	I	94.4	Very high	93	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	10.3	-178.5	72.1	-178	0	0	0	113.8	V28 C32 I44 V55 L56 R57 G61 T62 L70 L88	V28-I59 HydrophobicContact CG1-CG2 4.15Å; C32-I59 HydrophobicContact CB-CG2 4.14Å; I44-I59 HydrophobicContact CG2-CG2 3.85Å; V55-I59 HydrophobicContact CG1-CD1 4.21Å; V55-I59 WeakPolarHBondContact O-CG1 3.45Å; V55-I59 PolarHBondContact O-N 3.04Å; L56-I59 HydrophobicContact CD2-CD1 4.43Å; L56-I59 PolarHBondContact O-N 2.8Å; R57-I59 VanDerWaalsContact C-N 3.32Å; R57-I59 PolarHBondContact O-N 2.72Å; I59-G61 PolarHBondContact O-N 2.83Å; I59-T62 HydrophobicContact CB-CG2 4.3Å; I59-T62 WeakPolarHBondContact O-CB 3.29Å; I59-T62 WeakPolarHBondContact O-CG2 3.28Å; I59-T62 PolarHBondContact O-N 2.88Å; I59-T62 PolarHBondContact O-OG1 2.85Å; I59-L70 HydrophobicContact CD1-CD1 4.21Å; I59-L70 HydrophobicContact CD1-CD2 3.9Å; I59-L88 HydrophobicContact CD1-CD1 3.64Å; I59-L88 HydrophobicContact CG1-CD1 4.39Å
60	S	91.6	Very high	93.1	Very high	63 Å²	63	49.5 Å²	49.5	44%	0.441	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-57.6	-21.9	-178.9	54.6	0	0	0	0	114.7	L56 R57 T62 E63	L56-S60 PolarHBondContact O-N 3.29Å; L56-S60 VanDerWaalsContact O-N 3.07Å; R57-S60 PolarHBondContact O-OG 3.01Å; S60-T62 PolarHBondContact O-N 3.04Å; S60-E63 WeakPolarHBondContact O-CG 3.47Å
61	G	88.2	Confident	93.3	Very high	47 Å²	47	48.4 Å²	48.4	49%	0.485	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-75.6	1.4	174.9	0	0	0	0	0	115.4	I59	I59-G61 PolarHBondContact O-N 2.83Å
62	T	89.1	Confident	93.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-105.2	4.6	-170.4	69.4	0	0	0	0	114.9	P26 V28 I44 I59 S60 N64 V65 L88	P26-T62 HydrophobicContact CB-CG2 3.85Å; P26-T62 HydrophobicContact CG-CG2 3.31Å; V28-T62 HydrophobicContact CG2-CG2 3.89Å; I44-T62 HydrophobicContact CD1-CG2 3.8Å; I59-T62 HydrophobicContact CB-CG2 4.3Å; I59-T62 WeakPolarHBondContact O-CB 3.29Å; I59-T62 WeakPolarHBondContact O-CG2 3.28Å; I59-T62 PolarHBondContact O-N 2.88Å; I59-T62 PolarHBondContact O-OG1 2.85Å; S60-T62 PolarHBondContact O-N 3.04Å; T62-N64 PolarHBondContact O-N 3.49Å; T62-V65 PolarHBondContact O-N 3.39Å; T62-L88 WeakPolarHBondContact OG1-CD2 3.33Å
63	E	85.8	Confident	93.4	Very high	76 Å²	76	47.4 Å²	47.4	36%	0.355	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.2	-171.9	-62.6	179.2	173.4	0	0	114.8	S60 R87	S60-E63 WeakPolarHBondContact O-CG 3.47Å; E63-R87 WeakPolarHBondContact CA-O 3.43Å; E63-R87 HydrophobicContact CB-CB 4.23Å; E63-R87 HydrophobicContact CG-CB 3.79Å; E63-R87 WeakPolarHBondContact OE1-CD 3.31Å; E63-R87 IonicContact OE1-CZ 3.05Å; E63-R87 IonicContact OE1-NE 2.78Å; E63-R87 IonicContact OE1-NH1 2.7Å; E63-R87 PolarHBondContact OE1-NH1 3.07Å; E63-R87 IonicContact OE2-NH1 3.08Å
64	N	84.2	Confident	93.5	Very high	166 Å²	166	43.8 Å²	43.8	89%	0.888	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	11.4	180	-66.2	-36.3	0	0	0	113.7	T62	T62-N64 PolarHBondContact O-N 3.49Å
65	V	88.4	Confident	93.6	Very high	42 Å²	42	41 Å²	41	26%	0.255	23%	0.229	S	C	.	.	S	Bend	trans	-111.3	134.4	-177.1	-177	0	0	0	0	109.4	P26 V42 T62 I67	P26-V65 HydrophobicContact CB-CG2 4.16Å; P26-V65 HydrophobicContact CG-CG2 4.31Å; V42-V65 HydrophobicContact CB-CG1 4.41Å; V42-V65 HydrophobicContact CG1-CG1 4.38Å; V42-V65 HydrophobicContact CG2-CG1 4.02Å; T62-V65 PolarHBondContact O-N 3.39Å; V65-I67 PolarHBondContact O-N 2.98Å
66	Q	89.1	Confident	93.6	Very high	139 Å²	139	45.2 Å²	45.2	65%	0.65	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	109.8	167.4	-175.3	177.2	-6.5	0	0	108.7	V91	Q66-V91 HydrophobicContact CG-CG2 4.35Å
67	I	94.2	Very high	93.6	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.1	177.9	-59.5	163.3	0	0	0	107.5	I44 V65 S69 L70 L88 A89 I90 V91	I44-I67 HydrophobicContact CD1-CD1 3.92Å; I44-I67 HydrophobicContact CD1-CG1 4.09Å; I44-I67 HydrophobicContact CD1-CG2 4.37Å; I44-I67 HydrophobicContact CG1-CG2 4.49Å; V65-I67 PolarHBondContact O-N 2.98Å; I67-S69 WeakPolarHBondContact CG2-O 3.12Å; I67-L70 HydrophobicContact CG2-CB 4.2Å; I67-L88 HydrophobicContact CD1-CD2 4.31Å; I67-A89 PolarHBondContact N-O 3.07Å; I67-I90 HydrophobicContact CB-CG1 4.1Å; I67-I90 HydrophobicContact CD1-CG1 4.07Å; I67-I90 HydrophobicContact CG2-CG1 4.49Å; I67-I90 HydrophobicContact CG2-CG2 4.41Å; I67-I90 CarbonylContact O-C 3.09Å; I67-I90 VanDerWaalsContact O-CA 3.29Å; I67-I90 WeakPolarHBondContact O-CA 3.49Å; I67-V91 PolarHBondContact O-N 3.36Å
68	D	95.4	Very high	93.6	Very high	35 Å²	35	39.3 Å²	39.3	19%	0.187	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-43.4	174.7	177.8	84	0	0	0	110.8	P41 V42 V91 R92	P41-D68 HydrophobicContact CB-CB 3.54Å; P41-D68 HydrophobicContact CG-CB 3.57Å; P41-D68 VanDerWaalsContact CG-CG 3.5Å; V42-D68 PolarHBondContact O-N 2.99Å; D68-V91 WeakPolarHBondContact O-CB 3.26Å; D68-R92 WeakPolarHBondContact O-CB 3.49Å; D68-R92 WeakPolarHBondContact O-CG 3.39Å; D68-R92 PolarHBondContact O-N 3.39Å; D68-R92 IonicContact OD1-NH1 3.98Å; D68-R92 IonicContact OD2-CZ 2.74Å; D68-R92 IonicContact OD2-NH1 2.8Å; D68-R92 PolarHBondContact OD2-NH1 2.91Å
69	S	96.4	Very high	93.7	Very high	22 Å²	22	42.6 Å²	42.6	15%	0.154	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	126.1	178.8	178.4	0	0	0	0	112	V42 S43 I44 I67 R92	V42-S69 PolarHBondContact O-N 3.48Å; S43-S69 CarbonylContact C-O 2.95Å; S43-S69 WeakPolarHBondContact CA-O 3.29Å; I44-S69 PolarHBondContact N-O 3.16Å; I67-S69 WeakPolarHBondContact CG2-O 3.12Å; S69-R92 WeakPolarHBondContact CA-O 3.22Å
70	L	97.2	Very high	93.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.4	166.4	176.3	60.7	0	0	0	109.1	I44 I59 I67 I72 F85 L88 I90 R92 L93 V94	I44-L70 HydrophobicContact CB-CD1 3.84Å; I44-L70 HydrophobicContact CG2-CD1 3.77Å; I44-L70 WeakPolarHBondContact O-CA 3.4Å; I59-L70 HydrophobicContact CD1-CD1 4.21Å; I59-L70 HydrophobicContact CD1-CD2 3.9Å; I67-L70 HydrophobicContact CG2-CB 4.2Å; L70-I72 HydrophobicContact CD1-CG1 4.42Å; L70-I72 HydrophobicContact CD2-CD1 4.35Å; L70-I72 HydrophobicContact CG-CG1 4.28Å; L70-F85 HydrophobicContact CD2-CD1 4.33Å; L70-F85 HydrophobicContact CD2-CE1 4.15Å; L70-L88 HydrophobicContact CD2-CD1 4.37Å; L70-I90 HydrophobicContact CB-CD1 4.07Å; L70-I90 HydrophobicContact CB-CG1 4.44Å; L70-I90 HydrophobicContact CB-CG2 4.04Å; L70-I90 HydrophobicContact CD2-CD1 3.59Å; L70-I90 HydrophobicContact CG-CD1 4.48Å; L70-R92 PolarHBondContact N-O 3.46Å; L70-L93 HydrophobicContact CB-CD1 4.15Å; L70-L93 HydrophobicContact CD2-CD1 4.05Å; L70-L93 HydrophobicContact CG-CD1 4.13Å; L70-V94 PolarHBondContact O-N 2.74Å
71	S	97.9	Very high	94.1	Very high	21 Å²	21	41.6 Å²	41.6	15%	0.147	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118	178.7	-176.5	0	0	0	0	111.5	I44 V45 C46	I44-S71 PolarHBondContact O-N 3.35Å; V45-S71 WeakPolarHBondContact CA-O 3.48Å; C46-S71 PolarHBondContact N-O 3.17Å
72	I	98.1	Very high	94.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	113.7	174.6	-52.8	177.8	0	0	0	107.2	C46 L52 V55 L70 T75 I77 F85 V94 L95 N96 N98	C46-I72 WeakPolarHBondContact O-CA 3.27Å; L52-I72 HydrophobicContact CD1-CD1 3.95Å; V55-I72 HydrophobicContact CB-CD1 4.46Å; V55-I72 HydrophobicContact CG1-CD1 3.67Å; V55-I72 HydrophobicContact CG1-CG1 4.05Å; V55-I72 HydrophobicContact CG2-CG2 4.16Å; L70-I72 HydrophobicContact CD1-CG1 4.42Å; L70-I72 HydrophobicContact CD2-CD1 4.35Å; L70-I72 HydrophobicContact CG-CG1 4.28Å; I72-T75 HydrophobicContact CG2-CG2 4.5Å; I72-I77 HydrophobicContact CG2-CD1 4.41Å; I72-F85 HydrophobicContact CD1-CE1 4Å; I72-F85 HydrophobicContact CD1-CZ 4.23Å; I72-V94 PolarHBondContact N-O 2.9Å; I72-L95 HydrophobicContact CB-CD2 3.8Å; I72-L95 HydrophobicContact CD1-CD2 3.77Å; I72-L95 HydrophobicContact CG1-CD2 4.05Å; I72-L95 WeakPolarHBondContact O-CA 3.04Å; I72-N96 PolarHBondContact O-N 2.73Å; I72-N98 PolarHBondContact O-OD1 3.03Å; I72-N98 VanDerWaalsContact O-OD1 3.14Å
73	T	97.9	Very high	94.9	Very high	27 Å²	27	45.4 Å²	45.4	17%	0.166	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.3	-173.9	54.2	0	0	0	0	111.1	C46 H47 N48 T75 N96	C46-T73 PolarHBondContact O-N 2.89Å; C46-T73 PolarHBondContact O-OG1 2.84Å; H47-T73 PolarHBondContact ND1-OG1 2.78Å; N48-T73 PolarHBondContact N-O 2.9Å; T73-T75 PolarHBondContact O-N 3.5Å; T73-T75 PolarHBondContact O-OG1 2.97Å; T73-N96 VanDerWaalsContact CA-O 3.3Å; T73-N96 WeakPolarHBondContact CA-O 3.33Å; T73-N96 HydrophobicContact CG2-CB 4.16Å
74	S	97.6	Very high	95.3	Very high	40 Å²	40	42.3 Å²	42.3	28%	0.28	25%	0.247	S	C	.	.	S	Bend	trans	54.2	24.1	175.4	-57.8	0	0	0	0	114.9	H47 N96 K97	H47-S74 PolarHBondContact CE1-OG 2.87Å; H47-S74 VanDerWaalsContact CE1-OG 3.26Å; S74-N96 PolarHBondContact N-O 2.95Å; S74-N96 VanDerWaalsContact N-O 3.12Å; S74-K97 WeakPolarHBondContact CA-O 3.46Å
75	T	97.7	Very high	95.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.204	C	C	.	.			trans	-101.8	124.5	176.3	-59.3	0	0	0	0	108.4	A49 S51 I72 T73 I77 N98	A49-T75 HydrophobicContact CB-CG2 4.08Å; A49-T75 PolarHBondContact N-OG1 2.86Å; S51-T75 VanDerWaalsContact C-CG2 3.44Å; I72-T75 HydrophobicContact CG2-CG2 4.5Å; T73-T75 PolarHBondContact O-N 3.5Å; T73-T75 PolarHBondContact O-OG1 2.97Å; T75-I77 PolarHBondContact O-N 3.27Å; T75-N98 PolarHBondContact N-ND2 3.08Å; T75-N98 VanDerWaalsContact N-ND2 3.14Å; T75-N98 WeakPolarHBondContact O-CA 3.48Å; T75-N98 VanDerWaalsContact O-CB 3.25Å; T75-N98 WeakPolarHBondContact O-CB 3.36Å; T75-N98 PolarHBondContact O-ND2 2.04Å
76	P	96.2	Very high	96.1	Very high	87 Å²	87	36.9 Å²	36.9	57%	0.565	21%	0.213	S	C	*	.			trans	-70	116	-179.5	28.9	-33.4	0	0	0	109.7	G50	G50-P76 WeakPolarHBondContact O-CD 3.46Å; G50-P76 WeakPolarHBondContact O-CG 3.14Å
77	I	97.3	Very high	96.2	Very high	27 Å²	27	37.5 Å²	37.5	14%	0.138	21%	0.209	C	C	.	.			trans	-113.8	-48.4	177.4	-56.9	179.2	0	0	0	109.6	L52 I72 T75 H79 L80 N98 L100	L52-I77 HydrophobicContact CB-CD1 4.39Å; L52-I77 HydrophobicContact CB-CG1 4.19Å; L52-I77 HydrophobicContact CD1-CD1 4.2Å; L52-I77 HydrophobicContact CD2-CG2 4.21Å; I72-I77 HydrophobicContact CG2-CD1 4.41Å; T75-I77 PolarHBondContact O-N 3.27Å; I77-H79 WeakPolarHBondContact CG2-O 3.25Å; I77-H79 PolarHBondContact O-N 3.41Å; I77-L80 HydrophobicContact CG2-CD1 4.32Å; I77-N98 HydrophobicContact CB-CB 4.18Å; I77-N98 HydrophobicContact CD1-CB 3.87Å; I77-N98 HydrophobicContact CG1-CB 3.94Å; I77-N98 PolarHBondContact N-O 3.12Å; I77-L100 HydrophobicContact CB-CD2 3.86Å; I77-L100 HydrophobicContact CG2-CD2 3.62Å
78	G	94.8	Very high	96.2	Very high	27 Å²	27	37.9 Å²	37.9	28%	0.278	21%	0.212	S	C	.	.	S	Bend	trans	71.9	-67.5	-179.4	0	0	0	0	0	113.1	N98 G99 L100 T101	G78-N98 PolarHBondContact N-O 2.68Å; G78-G99 WeakPolarHBondContact CA-O 3.42Å; G78-L100 CarbonylContact O-C 3.24Å; G78-L100 VanDerWaalsContact O-CA 3.26Å; G78-L100 WeakPolarHBondContact O-CA 3.37Å; G78-T101 PolarHBondContact O-N 2.03Å; G78-T101 PolarHBondContact O-OG1 3.45Å
79	H	96.7	Very high	96.1	Very high	73 Å²	73	37.5 Å²	37.5	34%	0.338	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.6	176	171.7	79.6	0	0	0	109.1	I77 P81 D102	I77-H79 WeakPolarHBondContact CG2-O 3.25Å; I77-H79 PolarHBondContact O-N 3.41Å; H79-P81 VanDerWaalsContact O-CD 3.3Å; H79-P81 WeakPolarHBondContact O-CD 3.07Å; H79-D102 IonicContact CE1-OD2 2.93Å; H79-D102 PolarHBondContact CE1-OD2 2.86Å; H79-D102 IonicContact CG-OD1 3.39Å; H79-D102 IonicContact CG-OD2 3.9Å; H79-D102 IonicContact ND1-OD1 3.21Å; H79-D102 PolarHBondContact ND1-OD1 3.42Å; H79-D102 IonicContact ND1-OD2 2.7Å; H79-D102 PolarHBondContact ND1-OD2 3.39Å
80	L	97.7	Very high	96.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	112.4	176.4	-169.7	69.3	0	0	0	109.5	L52 I77 A84 F85 L95 L100 D102 I103 D104 A107 F108	L52-L80 HydrophobicContact CD2-CD1 3.91Å; I77-L80 HydrophobicContact CG2-CD1 4.32Å; L80-A84 HydrophobicContact CD1-CB 4.23Å; L80-A84 HydrophobicContact CG-CB 4.47Å; L80-F85 HydrophobicContact CD1-CE2 3.95Å; L80-F85 HydrophobicContact CD1-CZ 4.24Å; L80-F85 HydrophobicContact CD2-CE2 4.24Å; L80-L95 HydrophobicContact CD1-CD1 4.19Å; L80-L95 HydrophobicContact CD2-CD1 4.15Å; L80-L100 HydrophobicContact CB-CD2 4.07Å; L80-D102 PolarHBondContact N-O 3.49Å; L80-I103 HydrophobicContact CB-CB 4.4Å; L80-I103 HydrophobicContact CB-CG1 4.13Å; L80-I103 HydrophobicContact CB-CG2 4.28Å; L80-I103 HydrophobicContact CD2-CG1 4.41Å; L80-I103 HydrophobicContact CD2-CG2 4.03Å; L80-D104 VanDerWaalsContact O-CB 3.23Å; L80-D104 WeakPolarHBondContact O-CB 3.36Å; L80-D104 PolarHBondContact O-N 3.3Å; L80-A107 HydrophobicContact CB-CB 4.43Å; L80-A107 HydrophobicContact CD2-CB 3.75Å; L80-A107 HydrophobicContact CG-CB 3.87Å; L80-F108 HydrophobicContact CD2-CD1 4.3Å; L80-F108 HydrophobicContact CD2-CE1 3.47Å; L80-F108 VanDerWaalsContact CD2-CE1 3.47Å; L80-F108 HydrophobicContact CD2-CE2 4.3Å; L80-F108 HydrophobicContact CD2-CZ 3.47Å; L80-F108 VanDerWaalsContact CD2-CZ 3.47Å
81	P	97.1	Very high	96.1	Very high	45 Å²	45	37.2 Å²	37.2	29%	0.292	21%	0.211	S	C	.	.			trans	-73.7	165.9	-169	31.4	-35.3	0	0	0	112.7	L52 H79 A84 A107	L52-P81 HydrophobicContact CD2-CG 3.82Å; H79-P81 VanDerWaalsContact O-CD 3.3Å; H79-P81 WeakPolarHBondContact O-CD 3.07Å; P81-A84 HydrophobicContact CG-CB 4.13Å; P81-A107 VanDerWaalsContact O-CA 3.27Å; P81-A107 WeakPolarHBondContact O-CA 2.97Å; P81-A107 WeakPolarHBondContact O-CB 3.46Å
82	P	97.4	Very high	96.2	Very high	69 Å²	69	41 Å²	41	45%	0.448	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	144.9	174	25.5	-36.8	0	0	0	111.8	A84 T106	P82-A84 PolarHBondContact O-N 2.83Å; P82-T106 WeakPolarHBondContact CB-OG1 3.18Å
83	D	95.8	Very high	96.2	Very high	58 Å²	58	41 Å²	41	31%	0.31	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	24.7	172.4	-60.8	-55.2	0	0	0	114.4	F85 Q86 T106 N109	D83-F85 PolarHBondContact O-N 2.84Å; D83-F85 VanDerWaalsContact O-N 3.08Å; D83-Q86 HydrophobicContact CB-CB 4.02Å; D83-Q86 HydrophobicContact CB-CG 4.39Å; D83-Q86 VanDerWaalsContact O-CB 3.31Å; D83-Q86 WeakPolarHBondContact O-CB 3.34Å; D83-Q86 PolarHBondContact O-N 2.93Å; D83-Q86 VanDerWaalsContact O-N 3.09Å; D83-T106 PolarHBondContact N-O 3.44Å; D83-N109 WeakPolarHBondContact OD1-CB 3.34Å; D83-N109 PolarHBondContact OD1-ND2 3.37Å
84	A	95.1	Very high	96.2	Very high	10 Å²	10	41 Å²	41	8%	0.083	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-36.8	-172.9	0	0	0	0	0	113.6	L52 L56 L80 P81 P82 A107	L52-A84 HydrophobicContact CD2-CB 4.21Å; L56-A84 VanDerWaalsContact CD1-O 3.27Å; L56-A84 WeakPolarHBondContact CD1-O 3.47Å; L56-A84 WeakPolarHBondContact CD2-O 3.36Å; L80-A84 HydrophobicContact CD1-CB 4.23Å; L80-A84 HydrophobicContact CG-CB 4.47Å; P81-A84 HydrophobicContact CG-CB 4.13Å; P82-A84 PolarHBondContact O-N 2.83Å; A84-A107 PolarHBondContact N-O 3.32Å
85	F	95.5	Very high	96.3	Very high	1 Å²	1	39 Å²	39	0%	0.004	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	26.2	-178.1	-51.7	-71.6	0	0	0	112.6	L52 L56 L70 I72 L80 D83 R87 L88 L93 L95 F108 L112	L52-F85 HydrophobicContact CD1-CE1 4.28Å; L52-F85 HydrophobicContact CD1-CZ 4.29Å; L56-F85 HydrophobicContact CD2-CD1 4.04Å; L56-F85 HydrophobicContact CD2-CE1 4.2Å; L70-F85 HydrophobicContact CD2-CD1 4.33Å; L70-F85 HydrophobicContact CD2-CE1 4.15Å; I72-F85 HydrophobicContact CD1-CE1 4Å; I72-F85 HydrophobicContact CD1-CZ 4.23Å; L80-F85 HydrophobicContact CD1-CE2 3.95Å; L80-F85 HydrophobicContact CD1-CZ 4.24Å; L80-F85 HydrophobicContact CD2-CE2 4.24Å; D83-F85 PolarHBondContact O-N 2.84Å; D83-F85 VanDerWaalsContact O-N 3.08Å; F85-R87 PolarHBondContact O-N 3.38Å; F85-L88 HydrophobicContact CB-CD1 4.41Å; F85-L88 HydrophobicContact CD1-CD1 4.08Å; F85-L88 PolarHBondContact O-N 3.01Å; F85-L93 HydrophobicContact CD2-CD2 4.12Å; F85-L93 HydrophobicContact CE2-CD2 3.78Å; F85-L93 HydrophobicContact CZ-CD1 4.28Å; F85-L93 HydrophobicContact CZ-CD2 4.24Å; F85-L95 HydrophobicContact CE2-CD1 4.45Å; F85-L95 HydrophobicContact CZ-CD1 4.47Å; F85-L95 HydrophobicContact CZ-CD2 4.16Å; F85-F108 HydrophobicContact CD2-CD1 4.15Å; F85-F108 HydrophobicContact CD2-CE1 4.36Å; F85-F108 HydrophobicContact CE2-CD1 4.48Å; F85-F108 HydrophobicContact CE2-CE1 4.24Å; F85-L112 HydrophobicContact CB-CD2 4.16Å; F85-L112 HydrophobicContact CD2-CD2 4.19Å
86	Q	93	Very high	96.3	Very high	94 Å²	94	40 Å²	40	44%	0.439	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-32.3	-167.7	-172.2	179.7	49.4	0	0	115.5	D83 N109 G110 P111	D83-Q86 HydrophobicContact CB-CB 4.02Å; D83-Q86 HydrophobicContact CB-CG 4.39Å; D83-Q86 VanDerWaalsContact O-CB 3.31Å; D83-Q86 WeakPolarHBondContact O-CB 3.34Å; D83-Q86 PolarHBondContact O-N 2.93Å; D83-Q86 VanDerWaalsContact O-N 3.09Å; Q86-N109 WeakPolarHBondContact CA-O 3.23Å; Q86-G110 WeakPolarHBondContact O-CA 3.39Å; Q86-P111 WeakPolarHBondContact O-CD 3.33Å
87	R	92.1	Very high	96.3	Very high	151 Å²	151	41.6 Å²	41.6	57%	0.57	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	8	-175.4	-58.7	-177.4	-173	173	0.4	113.9	E63 F85	E63-R87 WeakPolarHBondContact CA-O 3.43Å; E63-R87 HydrophobicContact CB-CB 4.23Å; E63-R87 HydrophobicContact CG-CB 3.79Å; E63-R87 WeakPolarHBondContact OE1-CD 3.31Å; E63-R87 IonicContact OE1-CZ 3.05Å; E63-R87 IonicContact OE1-NE 2.78Å; E63-R87 IonicContact OE1-NH1 2.7Å; E63-R87 PolarHBondContact OE1-NH1 3.07Å; E63-R87 IonicContact OE2-NH1 3.08Å; F85-R87 PolarHBondContact O-N 3.38Å
88	L	94.4	Very high	96.4	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.047	21%	0.205	C	C	.	.			trans	-110.4	137.3	-174.4	-55.1	179.2	0	0	0	110.9	I59 T62 I67 L70 F85 I90	I59-L88 HydrophobicContact CD1-CD1 3.64Å; I59-L88 HydrophobicContact CG1-CD1 4.39Å; T62-L88 WeakPolarHBondContact OG1-CD2 3.33Å; I67-L88 HydrophobicContact CD1-CD2 4.31Å; L70-L88 HydrophobicContact CD2-CD1 4.37Å; F85-L88 HydrophobicContact CB-CD1 4.41Å; F85-L88 HydrophobicContact CD1-CD1 4.08Å; F85-L88 PolarHBondContact O-N 3.01Å; L88-I90 HydrophobicContact CB-CD1 3.87Å; L88-I90 HydrophobicContact CB-CG1 3.98Å; L88-I90 HydrophobicContact CD1-CD1 4.11Å
89	A	93.2	Very high	96.5	Very high	26 Å²	26	41 Å²	41	22%	0.215	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	108.4	167.9	0	0	0	0	0	108.5	I67 P111	I67-A89 PolarHBondContact N-O 3.07Å; A89-P111 HydrophobicContact CB-CB 3.95Å
90	I	96.4	Very high	96.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.7	-173.1	-54.2	160.4	0	0	0	109.3	I67 L70 L88 R92 L93 L112 S115 L116	I67-I90 HydrophobicContact CB-CG1 4.1Å; I67-I90 HydrophobicContact CD1-CG1 4.07Å; I67-I90 HydrophobicContact CG2-CG1 4.49Å; I67-I90 HydrophobicContact CG2-CG2 4.41Å; I67-I90 CarbonylContact O-C 3.09Å; I67-I90 VanDerWaalsContact O-CA 3.29Å; I67-I90 WeakPolarHBondContact O-CA 3.49Å; L70-I90 HydrophobicContact CB-CD1 4.07Å; L70-I90 HydrophobicContact CB-CG1 4.44Å; L70-I90 HydrophobicContact CB-CG2 4.04Å; L70-I90 HydrophobicContact CD2-CD1 3.59Å; L70-I90 HydrophobicContact CG-CD1 4.48Å; L88-I90 HydrophobicContact CB-CD1 3.87Å; L88-I90 HydrophobicContact CB-CG1 3.98Å; L88-I90 HydrophobicContact CD1-CD1 4.11Å; I90-R92 WeakPolarHBondContact CG2-O 3.49Å; I90-L93 HydrophobicContact CD1-CD1 4.44Å; I90-L93 HydrophobicContact CG2-CB 4.4Å; I90-L112 HydrophobicContact CB-CD1 3.52Å; I90-L112 HydrophobicContact CD1-CD1 3.97Å; I90-L112 HydrophobicContact CG1-CD1 4.05Å; I90-S115 PolarHBondContact N-OG 3.37Å; I90-S115 CarbonylContact O-C 3.42Å; I90-S115 PolarHBondContact O-OG 3.33Å; I90-L116 HydrophobicContact CG2-CD1 4.44Å; I90-L116 VanDerWaalsContact O-CA 3.29Å; I90-L116 WeakPolarHBondContact O-CA 3.06Å; I90-L116 PolarHBondContact O-N 2.91Å
91	V	97.4	Very high	96.6	Very high	17 Å²	17	41.3 Å²	41.3	10%	0.103	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-39.7	177.4	-179	0	0	0	0	111.6	Q66 I67 D68 L117 D118	Q66-V91 HydrophobicContact CG-CG2 4.35Å; I67-V91 PolarHBondContact O-N 3.36Å; D68-V91 WeakPolarHBondContact O-CB 3.26Å; V91-L117 HydrophobicContact CG1-CB 4.24Å; V91-L117 HydrophobicContact CG1-CD1 3.81Å; V91-L117 HydrophobicContact CG1-CG 3.98Å; V91-L117 PolarHBondContact O-N 3.26Å; V91-D118 PolarHBondContact O-N 3.07Å
92	R	98.4	Very high	96.5	Very high	100 Å²	100	42.2 Å²	42.2	38%	0.377	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	123.2	177.6	-50.2	-170.3	178.8	108.6	1.5	111.2	D68 S69 L70 I90 D118	D68-R92 WeakPolarHBondContact O-CB 3.49Å; D68-R92 WeakPolarHBondContact O-CG 3.39Å; D68-R92 PolarHBondContact O-N 3.39Å; D68-R92 IonicContact OD1-NH1 3.98Å; D68-R92 IonicContact OD2-CZ 2.74Å; D68-R92 IonicContact OD2-NH1 2.8Å; D68-R92 PolarHBondContact OD2-NH1 2.91Å; S69-R92 WeakPolarHBondContact CA-O 3.22Å; L70-R92 PolarHBondContact N-O 3.46Å; I90-R92 WeakPolarHBondContact CG2-O 3.49Å; R92-D118 WeakPolarHBondContact CA-O 3.39Å; R92-D118 HydrophobicContact CB-CB 4.2Å; R92-D118 HydrophobicContact CG-CB 3.93Å; R92-D118 IonicContact NE-OD2 2.64Å; R92-D118 PolarHBondContact NE-OD2 2.93Å
93	L	98.4	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.3	178.8	180	61	0	0	0	109.4	L70 F85 I90 L95 F108 L112 L116 D118 L119 D120	L70-L93 HydrophobicContact CB-CD1 4.15Å; L70-L93 HydrophobicContact CD2-CD1 4.05Å; L70-L93 HydrophobicContact CG-CD1 4.13Å; F85-L93 HydrophobicContact CD2-CD2 4.12Å; F85-L93 HydrophobicContact CE2-CD2 3.78Å; F85-L93 HydrophobicContact CZ-CD1 4.28Å; F85-L93 HydrophobicContact CZ-CD2 4.24Å; I90-L93 HydrophobicContact CD1-CD1 4.44Å; I90-L93 HydrophobicContact CG2-CB 4.4Å; L93-L95 HydrophobicContact CD1-CD2 4.02Å; L93-L95 HydrophobicContact CD1-CG 4.27Å; L93-L95 HydrophobicContact CD2-CD1 4.23Å; L93-L95 HydrophobicContact CD2-CG 4.39Å; L93-L95 HydrophobicContact CG-CD1 4.45Å; L93-L95 HydrophobicContact CG-CD2 4.37Å; L93-L95 HydrophobicContact CG-CG 4.07Å; L93-F108 HydrophobicContact CD2-CD1 4.34Å; L93-F108 HydrophobicContact CD2-CE1 3.79Å; L93-L112 HydrophobicContact CD2-CD2 4.29Å; L93-L116 HydrophobicContact CB-CD1 3.56Å; L93-L116 HydrophobicContact CB-CD2 4.27Å; L93-D118 PolarHBondContact N-O 2.8Å; L93-L119 HydrophobicContact CB-CD1 4.07Å; L93-L119 HydrophobicContact CD2-CD1 4.05Å; L93-L119 HydrophobicContact CG-CD1 4.12Å; L93-D120 PolarHBondContact O-N 3.22Å
94	V	98.5	Very high	96.7	Very high	26 Å²	26	38.4 Å²	38.4	16%	0.158	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114	-180	-178.4	0	0	0	0	108.6	L70 I72 N96 D120	L70-V94 PolarHBondContact O-N 2.74Å; I72-V94 PolarHBondContact N-O 2.9Å; V94-N96 HydrophobicContact CG1-CB 4.27Å; V94-N96 WeakPolarHBondContact CG1-ND2 3.4Å; V94-N96 WeakPolarHBondContact CG1-OD1 3.5Å; V94-D120 HydrophobicContact CB-CB 4.38Å; V94-D120 HydrophobicContact CG1-CB 4.22Å; V94-D120 HydrophobicContact CG2-CB 4.1Å
95	L	98.3	Very high	96.8	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	-120.6	78.7	178.2	-60	179.7	0	0	0	109.2	I72 L80 F85 L93 N98 L100 D120 L121 N124	I72-L95 HydrophobicContact CB-CD2 3.8Å; I72-L95 HydrophobicContact CD1-CD2 3.77Å; I72-L95 HydrophobicContact CG1-CD2 4.05Å; I72-L95 WeakPolarHBondContact O-CA 3.04Å; L80-L95 HydrophobicContact CD1-CD1 4.19Å; L80-L95 HydrophobicContact CD2-CD1 4.15Å; F85-L95 HydrophobicContact CE2-CD1 4.45Å; F85-L95 HydrophobicContact CZ-CD1 4.47Å; F85-L95 HydrophobicContact CZ-CD2 4.16Å; L93-L95 HydrophobicContact CD1-CD2 4.02Å; L93-L95 HydrophobicContact CD1-CG 4.27Å; L93-L95 HydrophobicContact CD2-CD1 4.23Å; L93-L95 HydrophobicContact CD2-CG 4.39Å; L93-L95 HydrophobicContact CG-CD1 4.45Å; L93-L95 HydrophobicContact CG-CD2 4.37Å; L93-L95 HydrophobicContact CG-CG 4.07Å; L95-N98 WeakPolarHBondContact CA-OD1 3.4Å; L95-N98 WeakPolarHBondContact CB-OD1 3.31Å; L95-N98 PolarHBondContact O-OD1 3.27Å; L95-L100 HydrophobicContact CB-CD1 4.01Å; L95-L100 HydrophobicContact CD1-CD1 4.12Å; L95-D120 PolarHBondContact N-O 3.17Å; L95-L121 HydrophobicContact CB-CD2 3.84Å; L95-L121 HydrophobicContact CD1-CD2 3.95Å; L95-L121 HydrophobicContact CG-CD2 4.26Å; L95-N124 PolarHBondContact O-ND2 2.96Å
96	N	98.2	Very high	96.9	Very high	21 Å²	21	42.4 Å²	42.4	11%	0.112	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.7	-169.5	-66.7	-3.3	0	0	0	111.8	I72 T73 S74 V94 N98 D120 R122	I72-N96 PolarHBondContact O-N 2.73Å; T73-N96 VanDerWaalsContact CA-O 3.3Å; T73-N96 WeakPolarHBondContact CA-O 3.33Å; T73-N96 HydrophobicContact CG2-CB 4.16Å; S74-N96 PolarHBondContact N-O 2.95Å; S74-N96 VanDerWaalsContact N-O 3.12Å; V94-N96 HydrophobicContact CG1-CB 4.27Å; V94-N96 WeakPolarHBondContact CG1-ND2 3.4Å; V94-N96 WeakPolarHBondContact CG1-OD1 3.5Å; N96-N98 PolarHBondContact N-OD1 3.44Å; N96-N98 PolarHBondContact O-N 2.96Å; N96-N98 PolarHBondContact O-ND2 3.39Å; N96-D120 PolarHBondContact OD1-O 2.75Å; N96-D120 PolarHBondContact OD1-OD1 2.83Å; N96-R122 WeakPolarHBondContact CA-O 3.4Å; N96-R122 HydrophobicContact CB-CG 4.09Å; N96-R122 WeakPolarHBondContact ND2-CD 3.32Å; N96-R122 WeakPolarHBondContact ND2-CG 3.12Å; N96-R122 VanDerWaalsContact OD1-CG 3.27Å; N96-R122 WeakPolarHBondContact OD1-CG 3.25Å; N96-R122 PolarHBondContact OD1-N 3.06Å
97	K	97.6	Very high	97.1	Very high	120 Å²	120	38 Å²	38	52%	0.522	20%	0.197	S	C	.	.	S	Bend	trans	56.1	39	179	-58.4	178.2	178.8	179.7	0	112.5	S74 R122 F123	S74-K97 WeakPolarHBondContact CA-O 3.46Å; K97-R122 PolarHBondContact N-O 3.25Å; K97-F123 VanDerWaalsContact CA-O 3.25Å; K97-F123 WeakPolarHBondContact CA-O 3.41Å; K97-F123 HydrophobicContact CB-CB 4.45Å; K97-F123 HydrophobicContact CG-CB 3.49Å; K97-F123 VanDerWaalsContact CG-CB 3.49Å; K97-F123 HydrophobicContact CG-CD2 4.43Å; K97-F123 HydrophobicContact CG-CG 4.11Å; K97-F123 PolarHBondContact N-O 2.62Å
98	N	98	Very high	97.3	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.011	17%	0.17	C	C	.	.	S	Bend	trans	-102.5	3.3	-177.7	-59.7	139.3	0	0	0	114	I72 T75 I77 G78 L95 N96 L100 N124	I72-N98 PolarHBondContact O-OD1 3.03Å; I72-N98 VanDerWaalsContact O-OD1 3.14Å; T75-N98 PolarHBondContact N-ND2 3.08Å; T75-N98 VanDerWaalsContact N-ND2 3.14Å; T75-N98 WeakPolarHBondContact O-CA 3.48Å; T75-N98 VanDerWaalsContact O-CB 3.25Å; T75-N98 WeakPolarHBondContact O-CB 3.36Å; T75-N98 PolarHBondContact O-ND2 2.04Å; I77-N98 HydrophobicContact CB-CB 4.18Å; I77-N98 HydrophobicContact CD1-CB 3.87Å; I77-N98 HydrophobicContact CG1-CB 3.94Å; I77-N98 PolarHBondContact N-O 3.12Å; G78-N98 PolarHBondContact N-O 2.68Å; L95-N98 WeakPolarHBondContact CA-OD1 3.4Å; L95-N98 WeakPolarHBondContact CB-OD1 3.31Å; L95-N98 PolarHBondContact O-OD1 3.27Å; N96-N98 PolarHBondContact N-OD1 3.44Å; N96-N98 PolarHBondContact O-N 2.96Å; N96-N98 PolarHBondContact O-ND2 3.39Å; N98-L100 HydrophobicContact CB-CD1 4.49Å; N98-L100 HydrophobicContact CB-CG 4.12Å; N98-L100 PolarHBondContact O-N 3.09Å; N98-N124 WeakPolarHBondContact CA-OD1 3.27Å; N98-N124 PolarHBondContact N-OD1 3.01Å
99	G	97.4	Very high	97.4	Very high	39 Å²	39	32.2 Å²	32.2	40%	0.402	18%	0.177	S	C	.	.			trans	65.3	22.2	-178.4	0	0	0	0	0	113.3	G78 T101 N124	G78-G99 WeakPolarHBondContact CA-O 3.42Å; G99-T101 PolarHBondContact O-N 3.01Å; G99-N124 PolarHBondContact N-OD1 3.49Å
100	L	98.1	Very high	97.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.			trans	-60.4	123.2	-177.3	-69.7	169.7	0	0	0	111	I77 G78 L80 L95 N98 L121 N124 A125 L126	I77-L100 HydrophobicContact CB-CD2 3.86Å; I77-L100 HydrophobicContact CG2-CD2 3.62Å; G78-L100 CarbonylContact O-C 3.24Å; G78-L100 VanDerWaalsContact O-CA 3.26Å; G78-L100 WeakPolarHBondContact O-CA 3.37Å; L80-L100 HydrophobicContact CB-CD2 4.07Å; L95-L100 HydrophobicContact CB-CD1 4.01Å; L95-L100 HydrophobicContact CD1-CD1 4.12Å; N98-L100 HydrophobicContact CB-CD1 4.49Å; N98-L100 HydrophobicContact CB-CG 4.12Å; N98-L100 PolarHBondContact O-N 3.09Å; L100-L121 HydrophobicContact CD1-CD2 4.19Å; L100-N124 HydrophobicContact CB-CB 3.93Å; L100-N124 PolarHBondContact N-OD1 3.02Å; L100-A125 CarbonylContact O-C 3.38Å; L100-A125 VanDerWaalsContact O-C 3.25Å; L100-A125 WeakPolarHBondContact O-CA 3.27Å; L100-A125 PolarHBondContact O-N 2.95Å; L100-L126 PolarHBondContact O-N 3.16Å
101	T	97.8	Very high	97.4	Very high	79 Å²	79	35.4 Å²	35.4	49%	0.485	20%	0.202	S	C	.	.			trans	-102.3	-29.2	173.8	49.2	0	0	0	0	112	G78 G99 A125	G78-T101 PolarHBondContact O-N 2.03Å; G78-T101 PolarHBondContact O-OG1 3.45Å; G99-T101 PolarHBondContact O-N 3.01Å; T101-A125 HydrophobicContact CG2-CB 3.92Å
102	D	96.3	Very high	97.3	Very high	64 Å²	64	34.6 Å²	34.6	34%	0.342	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	167.1	-177.1	65.6	-51	0	0	0	111.5	H79 L80	H79-D102 IonicContact CE1-OD2 2.93Å; H79-D102 PolarHBondContact CE1-OD2 2.86Å; H79-D102 IonicContact CG-OD1 3.39Å; H79-D102 IonicContact CG-OD2 3.9Å; H79-D102 IonicContact ND1-OD1 3.21Å; H79-D102 PolarHBondContact ND1-OD1 3.42Å; H79-D102 IonicContact ND1-OD2 2.7Å; H79-D102 PolarHBondContact ND1-OD2 3.39Å; L80-D102 PolarHBondContact N-O 3.49Å
103	I	98	Very high	97.2	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.8	-174.9	-64.6	171	0	0	0	107.4	L80 A107 F108 L121 P130 K132 V134	L80-I103 HydrophobicContact CB-CB 4.4Å; L80-I103 HydrophobicContact CB-CG1 4.13Å; L80-I103 HydrophobicContact CB-CG2 4.28Å; L80-I103 HydrophobicContact CD2-CG1 4.41Å; L80-I103 HydrophobicContact CD2-CG2 4.03Å; I103-A107 HydrophobicContact CG2-CB 3.76Å; I103-F108 HydrophobicContact CD1-CE2 4.34Å; I103-F108 HydrophobicContact CD1-CZ 4.35Å; I103-F108 HydrophobicContact CG2-CE2 3.84Å; I103-F108 HydrophobicContact CG2-CZ 4.31Å; I103-L121 HydrophobicContact CD1-CD1 3.84Å; I103-P130 HydrophobicContact CD1-CB 4.02Å; I103-P130 HydrophobicContact CD1-CG 4.47Å; I103-K132 VanDerWaalsContact O-CB 3.25Å; I103-K132 WeakPolarHBondContact O-CB 3.34Å; I103-V134 HydrophobicContact CD1-CG2 3.88Å
104	D	98.1	Very high	97.1	Very high	43 Å²	43	33.8 Å²	33.8	23%	0.23	20%	0.2	C	C	.	.			trans	-64	149	172.5	-171.9	-97.4	0	0	0	111.6	L80 T106 A107	L80-D104 VanDerWaalsContact O-CB 3.23Å; L80-D104 WeakPolarHBondContact O-CB 3.36Å; L80-D104 PolarHBondContact O-N 3.3Å; D104-T106 PolarHBondContact O-N 2.94Å; D104-T106 PolarHBondContact OD1-N 3.35Å; D104-T106 PolarHBondContact OD1-OG1 3.11Å; D104-A107 HydrophobicContact CB-CB 4.24Å; D104-A107 WeakPolarHBondContact O-CB 3.41Å; D104-A107 PolarHBondContact O-N 3.39Å
105	D	97.2	Very high	97	Very high	59 Å²	59	33.7 Å²	33.7	32%	0.316	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.8	-177.9	-168	37.8	0	0	0	113.3	K132 G133 R136	D105-K132 HydrophobicContact CB-CB 4.4Å; D105-G133 WeakPolarHBondContact O-CA 3.21Å; D105-R136 VanDerWaalsContact O-CD 3.26Å; D105-R136 WeakPolarHBondContact O-CD 3.33Å; D105-R136 PolarHBondContact O-NE 2.84Å; D105-R136 VanDerWaalsContact O-NE 3.14Å; D105-R136 IonicContact OD1-CZ 3.16Å; D105-R136 IonicContact OD1-NE 2.9Å; D105-R136 PolarHBondContact OD1-NE 2.93Å; D105-R136 IonicContact OD1-NH2 2.68Å; D105-R136 IonicContact OD2-CZ 2.73Å; D105-R136 IonicContact OD2-NE 3.98Å; D105-R136 IonicContact OD2-NH2 3.71Å; D105-R136 PolarHBondContact OD2-NH2 2.78Å
106	T	97.2	Very high	97	Very high	36 Å²	36	33.7 Å²	33.7	22%	0.221	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	8.3	-179.2	57.6	0	0	0	0	113.7	P82 D83 D104 F108 N109	P82-T106 WeakPolarHBondContact CB-OG1 3.18Å; D83-T106 PolarHBondContact N-O 3.44Å; D104-T106 PolarHBondContact O-N 2.94Å; D104-T106 PolarHBondContact OD1-N 3.35Å; D104-T106 PolarHBondContact OD1-OG1 3.11Å; T106-F108 PolarHBondContact O-N 3.2Å; T106-F108 VanDerWaalsContact O-N 3.12Å; T106-N109 VanDerWaalsContact CB-ND2 3.33Å; T106-N109 WeakPolarHBondContact CB-ND2 3.41Å; T106-N109 WeakPolarHBondContact O-CB 3.01Å; T106-N109 PolarHBondContact O-N 3.41Å; T106-N109 VanDerWaalsContact O-N 3.1Å
107	A	97.5	Very high	97	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.6	-175.2	0	0	0	0	0	114.6	L80 P81 A84 I103 D104	L80-A107 HydrophobicContact CB-CB 4.43Å; L80-A107 HydrophobicContact CD2-CB 3.75Å; L80-A107 HydrophobicContact CG-CB 3.87Å; P81-A107 VanDerWaalsContact O-CA 3.27Å; P81-A107 WeakPolarHBondContact O-CA 2.97Å; P81-A107 WeakPolarHBondContact O-CB 3.46Å; A84-A107 PolarHBondContact N-O 3.32Å; I103-A107 HydrophobicContact CG2-CB 3.76Å; D104-A107 HydrophobicContact CB-CB 4.24Å; D104-A107 WeakPolarHBondContact O-CB 3.41Å; D104-A107 PolarHBondContact O-N 3.39Å
108	F	97.3	Very high	97.1	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.013	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	18.9	-177.5	-57.2	-56.6	0	0	0	113.7	L80 F85 L93 I103 T106 L112 I113 L119 V134 L137	L80-F108 HydrophobicContact CD2-CD1 4.3Å; L80-F108 HydrophobicContact CD2-CE1 3.47Å; L80-F108 VanDerWaalsContact CD2-CE1 3.47Å; L80-F108 HydrophobicContact CD2-CE2 4.3Å; L80-F108 HydrophobicContact CD2-CZ 3.47Å; L80-F108 VanDerWaalsContact CD2-CZ 3.47Å; F85-F108 HydrophobicContact CD2-CD1 4.15Å; F85-F108 HydrophobicContact CD2-CE1 4.36Å; F85-F108 HydrophobicContact CE2-CD1 4.48Å; F85-F108 HydrophobicContact CE2-CE1 4.24Å; L93-F108 HydrophobicContact CD2-CD1 4.34Å; L93-F108 HydrophobicContact CD2-CE1 3.79Å; I103-F108 HydrophobicContact CD1-CE2 4.34Å; I103-F108 HydrophobicContact CD1-CZ 4.35Å; I103-F108 HydrophobicContact CG2-CE2 3.84Å; I103-F108 HydrophobicContact CG2-CZ 4.31Å; T106-F108 PolarHBondContact O-N 3.2Å; T106-F108 VanDerWaalsContact O-N 3.12Å; F108-L112 HydrophobicContact CB-CD2 3.88Å; F108-L112 HydrophobicContact CD1-CD2 3.42Å; F108-L112 VanDerWaalsContact CD1-CD2 3.42Å; F108-L112 HydrophobicContact CE1-CD2 4.35Å; F108-L112 HydrophobicContact CG-CD2 4.03Å; F108-I113 WeakPolarHBondContact O-CG1 3.37Å; F108-L119 HydrophobicContact CE2-CD2 4.34Å; F108-L119 HydrophobicContact CZ-CD1 4.47Å; F108-L119 HydrophobicContact CZ-CD2 4.13Å; F108-V134 HydrophobicContact CE2-CG2 3.75Å; F108-L137 HydrophobicContact CB-CD2 3.82Å; F108-L137 HydrophobicContact CD2-CD1 4.35Å; F108-L137 HydrophobicContact CD2-CD2 4.46Å; F108-L137 HydrophobicContact CD2-CG 4.48Å; F108-L137 HydrophobicContact CG-CD2 4.22Å
109	N	95.8	Very high	97.1	Very high	36 Å²	36	31.3 Å²	31.3	19%	0.193	19%	0.193	C	C	.	.			trans	-58.2	159.7	173.8	-84	-5.1	0	0	0	112.2	D83 Q86 T106	D83-N109 WeakPolarHBondContact OD1-CB 3.34Å; D83-N109 PolarHBondContact OD1-ND2 3.37Å; Q86-N109 WeakPolarHBondContact CA-O 3.23Å; T106-N109 VanDerWaalsContact CB-ND2 3.33Å; T106-N109 WeakPolarHBondContact CB-ND2 3.41Å; T106-N109 WeakPolarHBondContact O-CB 3.01Å; T106-N109 PolarHBondContact O-N 3.41Å; T106-N109 VanDerWaalsContact O-N 3.1Å
110	G	94.8	Very high	97.2	Very high	33 Å²	33	30.5 Å²	30.5	34%	0.34	18%	0.18	S	C	.	.	S	Bend	trans	95.4	-158.2	-179.1	0	0	0	0	0	113.2	Q86 L112 I113	Q86-G110 WeakPolarHBondContact O-CA 3.39Å; G110-L112 PolarHBondContact O-N 3.49Å; G110-L112 VanDerWaalsContact O-N 3.1Å; G110-I113 PolarHBondContact O-N 2.93Å
111	P	95	Very high	97.2	Very high	61 Å²	61	30.5 Å²	30.5	40%	0.396	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.4	-177	-23.2	33.3	0	0	0	113.8	Q86 A89 I113 D114 S115	Q86-P111 WeakPolarHBondContact O-CD 3.33Å; A89-P111 HydrophobicContact CB-CB 3.95Å; P111-I113 PolarHBondContact O-N 2.82Å; P111-D114 PolarHBondContact O-N 2.93Å; P111-S115 PolarHBondContact O-N 2.99Å; P111-S115 PolarHBondContact O-OG 2.77Å
112	L	95.3	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.5	-32.8	179.9	-160.9	72.9	0	0	0	113.3	F85 I90 L93 F108 G110 D114 S115 L116	F85-L112 HydrophobicContact CB-CD2 4.16Å; F85-L112 HydrophobicContact CD2-CD2 4.19Å; I90-L112 HydrophobicContact CB-CD1 3.52Å; I90-L112 HydrophobicContact CD1-CD1 3.97Å; I90-L112 HydrophobicContact CG1-CD1 4.05Å; L93-L112 HydrophobicContact CD2-CD2 4.29Å; F108-L112 HydrophobicContact CB-CD2 3.88Å; F108-L112 HydrophobicContact CD1-CD2 3.42Å; F108-L112 VanDerWaalsContact CD1-CD2 3.42Å; F108-L112 HydrophobicContact CE1-CD2 4.35Å; F108-L112 HydrophobicContact CG-CD2 4.03Å; G110-L112 PolarHBondContact O-N 3.49Å; G110-L112 VanDerWaalsContact O-N 3.1Å; L112-D114 PolarHBondContact O-N 2.97Å; L112-D114 VanDerWaalsContact O-N 3.16Å; L112-S115 VanDerWaalsContact CA-OG 3.3Å; L112-S115 WeakPolarHBondContact CA-OG 3.27Å; L112-S115 PolarHBondContact O-N 2.88Å; L112-L116 HydrophobicContact CD1-CB 4.03Å; L112-L116 HydrophobicContact CD1-CD1 4.07Å; L112-L116 HydrophobicContact CD1-CD2 4.34Å; L112-L116 HydrophobicContact CD1-CG 4.39Å; L112-L116 HydrophobicContact CD2-CD2 4.24Å; L112-L116 HydrophobicContact CG-CB 4.03Å; L112-L116 HydrophobicContact CG-CD2 4.13Å; L112-L116 VanDerWaalsContact O-CB 3.32Å; L112-L116 WeakPolarHBondContact O-CB 3.03Å; L112-L116 PolarHBondContact O-N 3.5Å; L112-L116 VanDerWaalsContact O-N 3.08Å
113	I	96.8	Very high	97.3	Very high	22 Å²	22	31.2 Å²	31.2	11%	0.113	17%	0.171	C	C	.	.	H	α-helix	trans	-54.1	-38.1	179.1	-64.2	-176.9	0	0	0	111.9	F108 G110 P111 R136 R138	F108-I113 WeakPolarHBondContact O-CG1 3.37Å; G110-I113 PolarHBondContact O-N 2.93Å; P111-I113 PolarHBondContact O-N 2.82Å; I113-R136 WeakPolarHBondContact CG2-O 3.35Å; I113-R138 HydrophobicContact CG2-CG 4.01Å; I113-R138 PolarHBondContact O-N 3.02Å
114	D	96.3	Very high	97.4	Very high	60 Å²	60	31.5 Å²	31.5	32%	0.321	17%	0.173	S	C	.	.	H	α-helix	trans	-105	-12.8	-175.6	-67.7	-54.7	0	0	0	114.2	P111 L112 R138 R139	P111-D114 PolarHBondContact O-N 2.93Å; L112-D114 PolarHBondContact O-N 2.97Å; L112-D114 VanDerWaalsContact O-N 3.16Å; D114-R138 IonicContact OD1-CZ 2.84Å; D114-R138 IonicContact OD1-NE 3.22Å; D114-R138 PolarHBondContact OD1-NE 3.13Å; D114-R138 IonicContact OD1-NH2 3.86Å; D114-R138 PolarHBondContact OD1-NH2 3.46Å; D114-R138 IonicContact OD2-CZ 3.73Å; D114-R138 IonicContact OD2-NE 3.01Å; D114-R138 IonicContact OD2-NH2 3.56Å; D114-R138 PolarHBondContact OD2-NH2 3.37Å; D114-R139 WeakPolarHBondContact O-CD 3.27Å; D114-R139 WeakPolarHBondContact O-CG 3.08Å; D114-R139 PolarHBondContact O-NH1 2.96Å
115	S	96.4	Very high	97.3	Very high	24 Å²	24	30.1 Å²	30.1	17%	0.168	17%	0.167	C	C	.	.	H	α-helix	trans	-101.7	-29.2	-175.1	50.8	0	0	0	0	113.4	I90 P111 L112 L117	I90-S115 PolarHBondContact N-OG 3.37Å; I90-S115 CarbonylContact O-C 3.42Å; I90-S115 PolarHBondContact O-OG 3.33Å; P111-S115 PolarHBondContact O-N 2.99Å; P111-S115 PolarHBondContact O-OG 2.77Å; L112-S115 VanDerWaalsContact CA-OG 3.3Å; L112-S115 WeakPolarHBondContact CA-OG 3.27Å; L112-S115 PolarHBondContact O-N 2.88Å; S115-L117 PolarHBondContact O-N 2.96Å
116	L	98.1	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.			trans	-74.5	120.1	-172.7	-166.8	65.9	0	0	0	111.9	I90 L93 L112 L119 L137 R139 L140	I90-L116 HydrophobicContact CG2-CD1 4.44Å; I90-L116 VanDerWaalsContact O-CA 3.29Å; I90-L116 WeakPolarHBondContact O-CA 3.06Å; I90-L116 PolarHBondContact O-N 2.91Å; L93-L116 HydrophobicContact CB-CD1 3.56Å; L93-L116 HydrophobicContact CB-CD2 4.27Å; L112-L116 HydrophobicContact CD1-CB 4.03Å; L112-L116 HydrophobicContact CD1-CD1 4.07Å; L112-L116 HydrophobicContact CD1-CD2 4.34Å; L112-L116 HydrophobicContact CD1-CG 4.39Å; L112-L116 HydrophobicContact CD2-CD2 4.24Å; L112-L116 HydrophobicContact CG-CB 4.03Å; L112-L116 HydrophobicContact CG-CD2 4.13Å; L112-L116 VanDerWaalsContact O-CB 3.32Å; L112-L116 WeakPolarHBondContact O-CB 3.03Å; L112-L116 PolarHBondContact O-N 3.5Å; L112-L116 VanDerWaalsContact O-N 3.08Å; L116-L119 HydrophobicContact CD2-CB 4.22Å; L116-L119 HydrophobicContact CD2-CD1 4.28Å; L116-L137 HydrophobicContact CB-CD2 4.3Å; L116-L137 HydrophobicContact CD2-CD1 3.83Å; L116-L137 HydrophobicContact CD2-CD2 4.03Å; L116-R139 CarbonylContact O-C 3.51Å; L116-L140 HydrophobicContact CG-CD1 4.41Å; L116-L140 PolarHBondContact O-N 2.92Å
117	L	98.5	Very high	97.4	Very high	65 Å²	65	27.8 Å²	27.8	34%	0.34	16%	0.163	S	C	.	.			trans	-106.3	-39.5	178.8	-57.6	-174.2	0	0	0	111.9	V91 S115 R139 N141 K142	V91-L117 HydrophobicContact CG1-CB 4.24Å; V91-L117 HydrophobicContact CG1-CD1 3.81Å; V91-L117 HydrophobicContact CG1-CG 3.98Å; V91-L117 PolarHBondContact O-N 3.26Å; S115-L117 PolarHBondContact O-N 2.96Å; L117-R139 HydrophobicContact CD2-CB 3.73Å; L117-R139 VanDerWaalsContact CD2-O 3.28Å; L117-R139 WeakPolarHBondContact CD2-O 3.34Å; L117-N141 WeakPolarHBondContact O-CA 3.25Å; L117-N141 PolarHBondContact O-N 3.32Å; L117-K142 PolarHBondContact O-N 2.93Å
118	D	98.7	Very high	97.3	Very high	25 Å²	25	36.4 Å²	36.4	13%	0.134	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.3	-178.8	-61.3	-19.9	0	0	0	109.5	V91 R92 L93 K142	V91-D118 PolarHBondContact O-N 3.07Å; R92-D118 WeakPolarHBondContact CA-O 3.39Å; R92-D118 HydrophobicContact CB-CB 4.2Å; R92-D118 HydrophobicContact CG-CB 3.93Å; R92-D118 IonicContact NE-OD2 2.64Å; R92-D118 PolarHBondContact NE-OD2 2.93Å; L93-D118 PolarHBondContact N-O 2.8Å; D118-K142 HydrophobicContact CB-CB 4.42Å; D118-K142 WeakPolarHBondContact OD1-CB 3.34Å; D118-K142 VanDerWaalsContact OD1-CD 3.32Å; D118-K142 WeakPolarHBondContact OD1-CD 3.28Å; D118-K142 VanDerWaalsContact OD1-CG 3.23Å; D118-K142 WeakPolarHBondContact OD1-CG 3.35Å; D118-K142 IonicContact OD1-NZ 3.08Å; D118-K142 PolarHBondContact OD1-NZ 2.68Å; D118-K142 IonicContact OD2-NZ 2.7Å; D118-K142 PolarHBondContact OD2-NZ 3.25Å
119	L	98.7	Very high	97.3	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.9	174.6	179.3	59	0	0	0	109.7	L93 F108 L116 L121 V134 L137 L140 K142 L143 S144	L93-L119 HydrophobicContact CB-CD1 4.07Å; L93-L119 HydrophobicContact CD2-CD1 4.05Å; L93-L119 HydrophobicContact CG-CD1 4.12Å; F108-L119 HydrophobicContact CE2-CD2 4.34Å; F108-L119 HydrophobicContact CZ-CD1 4.47Å; F108-L119 HydrophobicContact CZ-CD2 4.13Å; L116-L119 HydrophobicContact CD2-CB 4.22Å; L116-L119 HydrophobicContact CD2-CD1 4.28Å; L119-L121 HydrophobicContact CD1-CD2 3.82Å; L119-L121 HydrophobicContact CD1-CG 4.17Å; L119-L121 HydrophobicContact CD2-CD1 4.15Å; L119-L121 HydrophobicContact CD2-CG 4.36Å; L119-L121 HydrophobicContact CG-CD1 4.31Å; L119-L121 HydrophobicContact CG-CD2 4.19Å; L119-L121 HydrophobicContact CG-CG 3.98Å; L119-V134 HydrophobicContact CD2-CG1 4.15Å; L119-V134 HydrophobicContact CD2-CG2 4.02Å; L119-L137 HydrophobicContact CD2-CD1 4.02Å; L119-L140 HydrophobicContact CB-CD1 3.59Å; L119-K142 PolarHBondContact N-O 2.94Å; L119-L143 HydrophobicContact CB-CD1 4.21Å; L119-L143 HydrophobicContact CD2-CD1 4.11Å; L119-L143 HydrophobicContact CG-CD1 4.17Å; L119-L143 WeakPolarHBondContact O-CA 3.37Å; L119-S144 PolarHBondContact O-N 3.26Å
120	D	98.7	Very high	97.4	Very high	22 Å²	22	35.5 Å²	35.5	12%	0.118	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.9	178.8	-169.6	-8.5	0	0	0	110	L93 V94 L95 N96 R122	L93-D120 PolarHBondContact O-N 3.22Å; V94-D120 HydrophobicContact CB-CB 4.38Å; V94-D120 HydrophobicContact CG1-CB 4.22Å; V94-D120 HydrophobicContact CG2-CB 4.1Å; L95-D120 PolarHBondContact N-O 3.17Å; N96-D120 PolarHBondContact OD1-O 2.75Å; N96-D120 PolarHBondContact OD1-OD1 2.83Å; D120-R122 VanDerWaalsContact CG-NE 3.31Å; D120-R122 WeakPolarHBondContact OD1-CB 3.4Å; D120-R122 WeakPolarHBondContact OD1-CG 3.36Å; D120-R122 IonicContact OD1-CZ 3.81Å; D120-R122 PolarHBondContact OD1-N 3.1Å; D120-R122 VanDerWaalsContact OD1-N 3.13Å; D120-R122 IonicContact OD1-NE 3.37Å; D120-R122 PolarHBondContact OD1-NE 3.42Å; D120-R122 IonicContact OD1-NH2 3.93Å; D120-R122 IonicContact OD2-CZ 2.64Å; D120-R122 IonicContact OD2-NE 2.83Å; D120-R122 PolarHBondContact OD2-NE 3.4Å; D120-R122 IonicContact OD2-NH2 3.55Å; D120-R122 PolarHBondContact OD2-NH2 3.1Å
121	L	98.6	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.			trans	-118.3	29	-179.3	-57.9	177.5	0	0	0	111.1	L95 L100 I103 L119 N124 L126 P130 S144 L145 N148	L95-L121 HydrophobicContact CB-CD2 3.84Å; L95-L121 HydrophobicContact CD1-CD2 3.95Å; L95-L121 HydrophobicContact CG-CD2 4.26Å; L100-L121 HydrophobicContact CD1-CD2 4.19Å; I103-L121 HydrophobicContact CD1-CD1 3.84Å; L119-L121 HydrophobicContact CD1-CD2 3.82Å; L119-L121 HydrophobicContact CD1-CG 4.17Å; L119-L121 HydrophobicContact CD2-CD1 4.15Å; L119-L121 HydrophobicContact CD2-CG 4.36Å; L119-L121 HydrophobicContact CG-CD1 4.31Å; L119-L121 HydrophobicContact CG-CD2 4.19Å; L119-L121 HydrophobicContact CG-CG 3.98Å; L121-N124 VanDerWaalsContact C-ND2 3.3Å; L121-N124 PolarHBondContact O-ND2 3.21Å; L121-L126 HydrophobicContact CB-CD1 4.29Å; L121-L126 HydrophobicContact CD1-CD1 4.16Å; L121-P130 HydrophobicContact CD1-CG 4.28Å; L121-S144 PolarHBondContact N-O 3.46Å; L121-L145 HydrophobicContact CB-CD2 4.17Å; L121-L145 HydrophobicContact CD1-CD2 3.92Å; L121-N148 PolarHBondContact O-ND2 2.92Å
122	R	98.5	Very high	97.5	Very high	73 Å²	73	39.9 Å²	39.9	28%	0.275	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	159	-175	67.9	177.4	76.9	-167.8	3.1	113.8	N96 K97 D120 N124 A146	N96-R122 WeakPolarHBondContact CA-O 3.4Å; N96-R122 HydrophobicContact CB-CG 4.09Å; N96-R122 WeakPolarHBondContact ND2-CD 3.32Å; N96-R122 WeakPolarHBondContact ND2-CG 3.12Å; N96-R122 VanDerWaalsContact OD1-CG 3.27Å; N96-R122 WeakPolarHBondContact OD1-CG 3.25Å; N96-R122 PolarHBondContact OD1-N 3.06Å; K97-R122 PolarHBondContact N-O 3.25Å; D120-R122 VanDerWaalsContact CG-NE 3.31Å; D120-R122 WeakPolarHBondContact OD1-CB 3.4Å; D120-R122 WeakPolarHBondContact OD1-CG 3.36Å; D120-R122 IonicContact OD1-CZ 3.81Å; D120-R122 PolarHBondContact OD1-N 3.1Å; D120-R122 VanDerWaalsContact OD1-N 3.13Å; D120-R122 IonicContact OD1-NE 3.37Å; D120-R122 PolarHBondContact OD1-NE 3.42Å; D120-R122 IonicContact OD1-NH2 3.93Å; D120-R122 IonicContact OD2-CZ 2.64Å; D120-R122 IonicContact OD2-NE 2.83Å; D120-R122 PolarHBondContact OD2-NE 3.4Å; D120-R122 IonicContact OD2-NH2 3.55Å; D120-R122 PolarHBondContact OD2-NH2 3.1Å; R122-N124 VanDerWaalsContact C-N 3.27Å; R122-N124 PolarHBondContact O-N 2.86Å; R122-N124 PolarHBondContact O-ND2 2.68Å; R122-A146 CarbonylContact C-O 3.56Å; R122-A146 WeakPolarHBondContact CA-O 3.47Å; R122-A146 HydrophobicContact CB-CB 4.04Å; R122-A146 WeakPolarHBondContact CB-O 3.36Å
123	F	98.4	Very high	97.6	Very high	86 Å²	86	39.9 Å²	39.9	38%	0.377	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	37.2	178.5	-62.7	-74.9	0	0	0	113.6	K97 A146 F147	K97-F123 VanDerWaalsContact CA-O 3.25Å; K97-F123 WeakPolarHBondContact CA-O 3.41Å; K97-F123 HydrophobicContact CB-CB 4.45Å; K97-F123 HydrophobicContact CG-CB 3.49Å; K97-F123 VanDerWaalsContact CG-CB 3.49Å; K97-F123 HydrophobicContact CG-CD2 4.43Å; K97-F123 HydrophobicContact CG-CG 4.11Å; K97-F123 PolarHBondContact N-O 2.62Å; F123-A146 PolarHBondContact N-O 3.43Å; F123-F147 VanDerWaalsContact CA-O 3.26Å; F123-F147 WeakPolarHBondContact CA-O 3.34Å; F123-F147 HydrophobicContact CD1-CB 3.42Å; F123-F147 VanDerWaalsContact CD1-CB 3.42Å; F123-F147 HydrophobicContact CD1-CD1 4.42Å; F123-F147 HydrophobicContact CD1-CD2 4.38Å; F123-F147 AromaticContact CD1-CG 3.84Å; F123-F147 HydrophobicContact CD1-CG 3.84Å; F123-F147 HydrophobicContact CE1-CB 3.56Å; F123-F147 AromaticContact CE1-CD1 3.74Å; F123-F147 HydrophobicContact CE1-CD1 3.74Å; F123-F147 AromaticContact CE1-CD2 3.77Å; F123-F147 HydrophobicContact CE1-CD2 3.77Å; F123-F147 HydrophobicContact CE1-CE1 4.38Å; F123-F147 HydrophobicContact CE1-CE2 4.41Å; F123-F147 AromaticContact CE1-CG 3.39Å; F123-F147 HydrophobicContact CE1-CG 3.39Å; F123-F147 HydrophobicContact CE2-CD2 4.01Å; F123-F147 HydrophobicContact CE2-CG 4.42Å; F123-F147 HydrophobicContact CG-CB 3.94Å; F123-F147 HydrophobicContact CZ-CB 4.17Å; F123-F147 HydrophobicContact CZ-CD1 4.23Å; F123-F147 AromaticContact CZ-CD2 3.54Å; F123-F147 HydrophobicContact CZ-CD2 3.54Å; F123-F147 AromaticContact CZ-CE2 3.94Å; F123-F147 HydrophobicContact CZ-CE2 3.94Å; F123-F147 AromaticContact CZ-CG 3.71Å; F123-F147 HydrophobicContact CZ-CG 3.71Å; F123-F147 HydrophobicContact CZ-CZ 4.43Å; F123-F147 PolarHBondContact N-O 3.12Å
124	N	98.5	Very high	97.6	Very high	10 Å²	10	38.9 Å²	38.9	5%	0.053	19%	0.193	C	C	.	.	S	Bend	trans	-105.6	-164.1	173.3	-77	-64.1	0	0	0	110.9	L95 N98 G99 L100 L121 R122 N148	L95-N124 PolarHBondContact O-ND2 2.96Å; N98-N124 WeakPolarHBondContact CA-OD1 3.27Å; N98-N124 PolarHBondContact N-OD1 3.01Å; G99-N124 PolarHBondContact N-OD1 3.49Å; L100-N124 HydrophobicContact CB-CB 3.93Å; L100-N124 PolarHBondContact N-OD1 3.02Å; L121-N124 VanDerWaalsContact C-ND2 3.3Å; L121-N124 PolarHBondContact O-ND2 3.21Å; R122-N124 VanDerWaalsContact C-N 3.27Å; R122-N124 PolarHBondContact O-N 2.86Å; R122-N124 PolarHBondContact O-ND2 2.68Å; N124-N148 WeakPolarHBondContact CA-OD1 3.5Å; N124-N148 WeakPolarHBondContact CB-OD1 3.37Å; N124-N148 PolarHBondContact N-OD1 2.7Å; N124-N148 PolarHBondContact O-OD1 3.37Å
125	A	97.9	Very high	97.7	Very high	15 Å²	15	36.6 Å²	36.6	12%	0.124	18%	0.182	C	C	.	.			trans	-116.9	22.9	-176.8	0	0	0	0	0	112.4	L100 T101 G127 N148	L100-A125 CarbonylContact O-C 3.38Å; L100-A125 VanDerWaalsContact O-C 3.25Å; L100-A125 WeakPolarHBondContact O-CA 3.27Å; L100-A125 PolarHBondContact O-N 2.95Å; T101-A125 HydrophobicContact CG2-CB 3.92Å; A125-G127 PolarHBondContact O-N 3.21Å; A125-N148 PolarHBondContact N-OD1 3.34Å
126	L	98	Very high	97.7	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	19%	0.192	C	C	.	.			trans	-63.5	122.7	-178.6	-62.3	170.1	0	0	0	110	L100 L121 P130 L145 N148 R149 I150	L100-L126 PolarHBondContact O-N 3.16Å; L121-L126 HydrophobicContact CB-CD1 4.29Å; L121-L126 HydrophobicContact CD1-CD1 4.16Å; L126-P130 HydrophobicContact CD1-CG 4.44Å; L126-L145 HydrophobicContact CD1-CD2 3.95Å; L126-N148 HydrophobicContact CB-CB 4.19Å; L126-N148 WeakPolarHBondContact CB-OD1 3.18Å; L126-N148 WeakPolarHBondContact CG-OD1 3.29Å; L126-N148 PolarHBondContact N-OD1 3.32Å; L126-R149 CarbonylContact O-C 3.58Å; L126-R149 WeakPolarHBondContact O-CA 3.29Å; L126-R149 PolarHBondContact O-N 3.14Å; L126-I150 WeakPolarHBondContact O-CG1 3.29Å; L126-I150 PolarHBondContact O-N 2.89Å
127	G	97.1	Very high	97.7	Very high	41 Å²	41	40.3 Å²	40.3	42%	0.423	19%	0.192	S	C	.	.	S	Bend	trans	-88.9	-6.6	176.8	0	0	0	0	0	114.2	A125 P151	A125-G127 PolarHBondContact O-N 3.21Å; G127-P151 WeakPolarHBondContact O-CD 3.31Å
128	R	96.7	Very high	97.7	Very high	182 Å²	182	42.8 Å²	42.8	69%	0.687	20%	0.197	S	C	*	.	S	Bend	trans	-153	164.4	-179.8	60.4	-179.2	171.9	-170.7	-3.8	110.2
129	V	97.3	Very high	97.6	Very high	9 Å²	9	47.6 Å²	47.6	6%	0.055	21%	0.213	C	C	.	.			trans	-58.2	126.1	167.3	176.2	0	0	0	0	109.2	I131 L145 I150 I153 F158	V129-I131 PolarHBondContact O-N 2.9Å; V129-L145 HydrophobicContact CG1-CD1 4.31Å; V129-L145 HydrophobicContact CG2-CD1 4.25Å; V129-I150 HydrophobicContact CG2-CD1 4.47Å; V129-I153 HydrophobicContact CG2-CD1 3.6Å; V129-F158 HydrophobicContact CB-CZ 4.27Å; V129-F158 HydrophobicContact CG1-CD1 3.99Å; V129-F158 HydrophobicContact CG1-CE1 3.38Å; V129-F158 HydrophobicContact CG1-CE2 4.29Å; V129-F158 HydrophobicContact CG1-CZ 3.55Å; V129-F158 HydrophobicContact CG2-CE1 4.4Å; V129-F158 HydrophobicContact CG2-CE2 4.18Å; V129-F158 HydrophobicContact CG2-CZ 3.71Å
130	P	96.8	Very high	97.6	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.071	21%	0.212	C	C	.	.			trans	-72.5	120.6	-179.7	27.9	-33.1	0	0	0	110.6	I103 L121 L126 V134 L145 Y161	I103-P130 HydrophobicContact CD1-CB 4.02Å; I103-P130 HydrophobicContact CD1-CG 4.47Å; L121-P130 HydrophobicContact CD1-CG 4.28Å; L126-P130 HydrophobicContact CD1-CG 4.44Å; P130-V134 HydrophobicContact CB-CG2 3.91Å; P130-V134 HydrophobicContact CG-CG2 3.85Å; P130-L145 HydrophobicContact CG-CD2 3.94Å; P130-Y161 PolarHBondContact O-OH 3.4Å
131	I	96.2	Very high	97.6	Very high	61 Å²	61	48.6 Å²	48.6	31%	0.313	22%	0.218	S	C	.	.			trans	-94.7	-47.4	173	-60.8	171.5	0	0	0	109.9	V129 G133 S135 Q160	V129-I131 PolarHBondContact O-N 2.9Å; I131-G133 PolarHBondContact O-N 3.41Å; I131-S135 WeakPolarHBondContact O-CB 3.3Å; I131-S135 PolarHBondContact O-N 3.47Å; I131-S135 PolarHBondContact O-OG 2.98Å; I131-Q160 HydrophobicContact CG2-CB 4.46Å
132	K	96.6	Very high	97.6	Very high	124 Å²	124	51.7 Å²	51.7	54%	0.539	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	134.6	179.6	-68.7	-173.3	177	-172.3	0	111.3	I103 D105 V134	I103-K132 VanDerWaalsContact O-CB 3.25Å; I103-K132 WeakPolarHBondContact O-CB 3.34Å; D105-K132 HydrophobicContact CB-CB 4.4Å; K132-V134 PolarHBondContact O-N 2.98Å
133	G	96.3	Very high	97.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.01	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	-57.8	-178.1	0	0	0	0	0	112.8	D105 I131 S135 R136	D105-G133 WeakPolarHBondContact O-CA 3.21Å; I131-G133 PolarHBondContact O-N 3.41Å; G133-S135 PolarHBondContact O-N 3.27Å; G133-R136 WeakPolarHBondContact O-CB 3.29Å; G133-R136 PolarHBondContact O-N 2.83Å; G133-R136 VanDerWaalsContact O-N 3.15Å
134	V	97.9	Very high	97.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.5	-40.9	-174.5	-175.4	0	0	0	0	111.9	I103 F108 L119 P130 K132 R136 L137 L140 L143 Y161	I103-V134 HydrophobicContact CD1-CG2 3.88Å; F108-V134 HydrophobicContact CE2-CG2 3.75Å; L119-V134 HydrophobicContact CD2-CG1 4.15Å; L119-V134 HydrophobicContact CD2-CG2 4.02Å; P130-V134 HydrophobicContact CB-CG2 3.91Å; P130-V134 HydrophobicContact CG-CG2 3.85Å; K132-V134 PolarHBondContact O-N 2.98Å; V134-R136 PolarHBondContact O-N 2.83Å; V134-R136 VanDerWaalsContact O-N 3.09Å; V134-L137 HydrophobicContact CG1-CD1 4.21Å; V134-L137 WeakPolarHBondContact O-CB 3.15Å; V134-L137 WeakPolarHBondContact O-CG 3.25Å; V134-L137 PolarHBondContact O-N 3.26Å; V134-L137 VanDerWaalsContact O-N 3.12Å; V134-L140 HydrophobicContact CG1-CD2 4.05Å; V134-L143 HydrophobicContact CG1-CD1 4.46Å; V134-L143 HydrophobicContact CG1-CD2 4.38Å; V134-Y161 HydrophobicContact CB-CE1 4.47Å; V134-Y161 HydrophobicContact CG1-CD1 4.48Å; V134-Y161 HydrophobicContact CG1-CE1 3.56Å
135	S	97.2	Very high	97.6	Very high	13 Å²	13	44.4 Å²	44.4	9%	0.091	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-62.2	-18.3	179.1	59.7	0	0	0	0	114	I131 G133 A162	I131-S135 WeakPolarHBondContact O-CB 3.3Å; I131-S135 PolarHBondContact O-N 3.47Å; I131-S135 PolarHBondContact O-OG 2.98Å; G133-S135 PolarHBondContact O-N 3.27Å; S135-A162 VanDerWaalsContact O-CB 3.28Å; S135-A162 WeakPolarHBondContact O-CB 3.26Å; S135-A162 PolarHBondContact O-N 3.47Å
136	R	97.2	Very high	97.7	Very high	102 Å²	102	43.7 Å²	43.7	39%	0.385	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-82.2	-19.3	179	-61.7	179.1	173	-134.3	-4.7	113.1	D105 I113 G133 V134 R138	D105-R136 VanDerWaalsContact O-CD 3.26Å; D105-R136 WeakPolarHBondContact O-CD 3.33Å; D105-R136 PolarHBondContact O-NE 2.84Å; D105-R136 VanDerWaalsContact O-NE 3.14Å; D105-R136 IonicContact OD1-CZ 3.16Å; D105-R136 IonicContact OD1-NE 2.9Å; D105-R136 PolarHBondContact OD1-NE 2.93Å; D105-R136 IonicContact OD1-NH2 2.68Å; D105-R136 IonicContact OD2-CZ 2.73Å; D105-R136 IonicContact OD2-NE 3.98Å; D105-R136 IonicContact OD2-NH2 3.71Å; D105-R136 PolarHBondContact OD2-NH2 2.78Å; I113-R136 WeakPolarHBondContact CG2-O 3.35Å; G133-R136 WeakPolarHBondContact O-CB 3.29Å; G133-R136 PolarHBondContact O-N 2.83Å; G133-R136 VanDerWaalsContact O-N 3.15Å; V134-R136 PolarHBondContact O-N 2.83Å; V134-R136 VanDerWaalsContact O-N 3.09Å; R136-R138 PolarHBondContact O-N 3.25Å
137	L	98.1	Very high	97.7	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.216	C	C	.	.			trans	-64.1	121.5	179.8	-61	170.1	0	0	0	109.2	F108 L116 L119 V134 L140 S163	F108-L137 HydrophobicContact CB-CD2 3.82Å; F108-L137 HydrophobicContact CD2-CD1 4.35Å; F108-L137 HydrophobicContact CD2-CD2 4.46Å; F108-L137 HydrophobicContact CD2-CG 4.48Å; F108-L137 HydrophobicContact CG-CD2 4.22Å; L116-L137 HydrophobicContact CB-CD2 4.3Å; L116-L137 HydrophobicContact CD2-CD1 3.83Å; L116-L137 HydrophobicContact CD2-CD2 4.03Å; L119-L137 HydrophobicContact CD2-CD1 4.02Å; V134-L137 HydrophobicContact CG1-CD1 4.21Å; V134-L137 WeakPolarHBondContact O-CB 3.15Å; V134-L137 WeakPolarHBondContact O-CG 3.25Å; V134-L137 PolarHBondContact O-N 3.26Å; V134-L137 VanDerWaalsContact O-N 3.12Å; L137-L140 HydrophobicContact CB-CB 4.1Å; L137-L140 HydrophobicContact CD1-CD1 4.25Å; L137-L140 HydrophobicContact CD1-CD2 4.13Å; L137-S163 VanDerWaalsContact O-CB 3.29Å; L137-S163 WeakPolarHBondContact O-CB 3.46Å; L137-S163 PolarHBondContact O-N 2.83Å
138	R	97.7	Very high	97.8	Very high	117 Å²	117	46.5 Å²	46.5	44%	0.442	20%	0.198	S	C	.	.	S	Bend	trans	-89.3	-21.7	-170.4	-71.4	-169.4	-76.2	-101.7	4	113.9	I113 D114 R136 A162 Y166	I113-R138 HydrophobicContact CG2-CG 4.01Å; I113-R138 PolarHBondContact O-N 3.02Å; D114-R138 IonicContact OD1-CZ 2.84Å; D114-R138 IonicContact OD1-NE 3.22Å; D114-R138 PolarHBondContact OD1-NE 3.13Å; D114-R138 IonicContact OD1-NH2 3.86Å; D114-R138 PolarHBondContact OD1-NH2 3.46Å; D114-R138 IonicContact OD2-CZ 3.73Å; D114-R138 IonicContact OD2-NE 3.01Å; D114-R138 IonicContact OD2-NH2 3.56Å; D114-R138 PolarHBondContact OD2-NH2 3.37Å; R136-R138 PolarHBondContact O-N 3.25Å; R138-A162 HydrophobicContact CG-CB 4.1Å; R138-Y166 VanDerWaalsContact O-CD2 3.24Å; R138-Y166 WeakPolarHBondContact O-CD2 3.45Å
139	R	97.7	Very high	97.8	Very high	125 Å²	125	44.4 Å²	44.4	47%	0.472	19%	0.191	S	C	.	.	S	Bend	trans	-118	8.3	-174.4	-64.7	-151.6	173	121.4	-9.5	114.8	D114 L116 L117 N141	D114-R139 WeakPolarHBondContact O-CD 3.27Å; D114-R139 WeakPolarHBondContact O-CG 3.08Å; D114-R139 PolarHBondContact O-NH1 2.96Å; L116-R139 CarbonylContact O-C 3.51Å; L117-R139 HydrophobicContact CD2-CB 3.73Å; L117-R139 VanDerWaalsContact CD2-O 3.28Å; L117-R139 WeakPolarHBondContact CD2-O 3.34Å; R139-N141 PolarHBondContact O-N 2.92Å; R139-N141 VanDerWaalsContact O-N 3.1Å
140	L	98.5	Very high	97.9	Very high	0 Å²	0	44 Å²	44	0%	0	19%	0.188	C	C	.	.			trans	-59.5	118.1	-176.2	-168.9	71.2	0	0	0	110.9	L116 L119 V134 L137 K142 L143 S163 Y166 L167	L116-L140 HydrophobicContact CG-CD1 4.41Å; L116-L140 PolarHBondContact O-N 2.92Å; L119-L140 HydrophobicContact CB-CD1 3.59Å; V134-L140 HydrophobicContact CG1-CD2 4.05Å; L137-L140 HydrophobicContact CB-CB 4.1Å; L137-L140 HydrophobicContact CD1-CD1 4.25Å; L137-L140 HydrophobicContact CD1-CD2 4.13Å; L140-K142 WeakPolarHBondContact CD1-O 3.33Å; L140-L143 HydrophobicContact CD2-CB 4.17Å; L140-L143 HydrophobicContact CD2-CD1 4.43Å; L140-S163 WeakPolarHBondContact O-CB 3.29Å; L140-Y166 CarbonylContact O-C 3.59Å; L140-L167 HydrophobicContact CD2-CD1 4.21Å; L140-L167 VanDerWaalsContact O-CA 3.28Å; L140-L167 WeakPolarHBondContact O-CA 3.34Å; L140-L167 WeakPolarHBondContact O-CB 3.34Å; L140-L167 PolarHBondContact O-N 2.92Å
141	N	98.7	Very high	97.9	Very high	46 Å²	46	46.4 Å²	46.4	25%	0.246	20%	0.204	C	C	.	.			trans	-99.2	-36.3	-178.7	-179.1	-102.1	0	0	0	112.7	L117 R139 Y166 T168 R169	L117-N141 WeakPolarHBondContact O-CA 3.25Å; L117-N141 PolarHBondContact O-N 3.32Å; R139-N141 PolarHBondContact O-N 2.92Å; R139-N141 VanDerWaalsContact O-N 3.1Å; N141-Y166 WeakPolarHBondContact CA-O 3.34Å; N141-Y166 PolarHBondContact ND2-O 3.39Å; N141-T168 WeakPolarHBondContact ND2-CG2 3.49Å; N141-T168 PolarHBondContact ND2-OG1 3.05Å; N141-T168 PolarHBondContact O-N 3.17Å; N141-T168 PolarHBondContact O-OG1 2.86Å; N141-T168 PolarHBondContact OD1-OG1 2.96Å; N141-R169 PolarHBondContact O-N 3.36Å
142	K	98.8	Very high	98	Very high	66 Å²	66	46 Å²	46	29%	0.287	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.3	178.9	-53.2	-178.1	-159.4	130.3	0	111.1	L117 D118 L119 L140 R169	L117-K142 PolarHBondContact O-N 2.93Å; D118-K142 HydrophobicContact CB-CB 4.42Å; D118-K142 WeakPolarHBondContact OD1-CB 3.34Å; D118-K142 VanDerWaalsContact OD1-CD 3.32Å; D118-K142 WeakPolarHBondContact OD1-CD 3.28Å; D118-K142 VanDerWaalsContact OD1-CG 3.23Å; D118-K142 WeakPolarHBondContact OD1-CG 3.35Å; D118-K142 IonicContact OD1-NZ 3.08Å; D118-K142 PolarHBondContact OD1-NZ 2.68Å; D118-K142 IonicContact OD2-NZ 2.7Å; D118-K142 PolarHBondContact OD2-NZ 3.25Å; L119-K142 PolarHBondContact N-O 2.94Å; L140-K142 WeakPolarHBondContact CD1-O 3.33Å; K142-R169 WeakPolarHBondContact CA-O 3.38Å; K142-R169 HydrophobicContact CB-CB 4.41Å; K142-R169 HydrophobicContact CG-CB 4.07Å; K142-R169 HydrophobicContact CG-CG 4.15Å
143	L	98.7	Very high	98	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.7	173.8	177.6	60	0	0	0	109.4	L119 V134 L140 L145 F158 Y161 L167 R169 I170 D171	L119-L143 HydrophobicContact CB-CD1 4.21Å; L119-L143 HydrophobicContact CD2-CD1 4.11Å; L119-L143 HydrophobicContact CG-CD1 4.17Å; L119-L143 WeakPolarHBondContact O-CA 3.37Å; V134-L143 HydrophobicContact CG1-CD1 4.46Å; V134-L143 HydrophobicContact CG1-CD2 4.38Å; L140-L143 HydrophobicContact CD2-CB 4.17Å; L140-L143 HydrophobicContact CD2-CD1 4.43Å; L143-L145 HydrophobicContact CD1-CD2 4.02Å; L143-L145 HydrophobicContact CD1-CG 4.31Å; L143-L145 HydrophobicContact CD2-CD1 4.21Å; L143-L145 HydrophobicContact CD2-CG 4.36Å; L143-L145 HydrophobicContact CG-CD1 4.43Å; L143-L145 HydrophobicContact CG-CD2 4.3Å; L143-L145 HydrophobicContact CG-CG 4.05Å; L143-F158 HydrophobicContact CD2-CE1 4.26Å; L143-Y161 HydrophobicContact CD2-CE1 3.91Å; L143-L167 HydrophobicContact CB-CD1 4.32Å; L143-R169 PolarHBondContact N-O 3.26Å; L143-R169 VanDerWaalsContact N-O 3.09Å; L143-I170 WeakPolarHBondContact O-CA 3.4Å; L143-D171 PolarHBondContact O-N 3.49Å
144	S	98.7	Very high	98	Very high	12 Å²	12	41.8 Å²	41.8	8%	0.084	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.2	169.3	-174.9	0	0	0	0	110.7	L119 L121 A146 D171	L119-S144 PolarHBondContact O-N 3.26Å; L121-S144 PolarHBondContact N-O 3.46Å; S144-A146 PolarHBondContact OG-N 3.23Å; S144-D171 PolarHBondContact OG-OD2 2.9Å
145	L	98.7	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.217	C	C	.	.			trans	-118.6	24.3	172.6	-58.2	175.8	0	0	0	109.6	L121 L126 V129 P130 L143 N148 I150 D171 L172 N175	L121-L145 HydrophobicContact CB-CD2 4.17Å; L121-L145 HydrophobicContact CD1-CD2 3.92Å; L126-L145 HydrophobicContact CD1-CD2 3.95Å; V129-L145 HydrophobicContact CG1-CD1 4.31Å; V129-L145 HydrophobicContact CG2-CD1 4.25Å; P130-L145 HydrophobicContact CG-CD2 3.94Å; L143-L145 HydrophobicContact CD1-CD2 4.02Å; L143-L145 HydrophobicContact CD1-CG 4.31Å; L143-L145 HydrophobicContact CD2-CD1 4.21Å; L143-L145 HydrophobicContact CD2-CG 4.36Å; L143-L145 HydrophobicContact CG-CD1 4.43Å; L143-L145 HydrophobicContact CG-CD2 4.3Å; L143-L145 HydrophobicContact CG-CG 4.05Å; L145-N148 VanDerWaalsContact C-ND2 3.31Å; L145-N148 WeakPolarHBondContact O-CB 3.3Å; L145-N148 PolarHBondContact O-ND2 2.87Å; L145-I150 HydrophobicContact CB-CD1 4.26Å; L145-I150 HydrophobicContact CD1-CD1 4.16Å; L145-D171 CarbonylContact C-O 3.55Å; L145-D171 WeakPolarHBondContact CA-O 3.43Å; L145-D171 PolarHBondContact N-O 2.94Å; L145-L172 HydrophobicContact CB-CD2 4.11Å; L145-L172 HydrophobicContact CD1-CD2 3.99Å; L145-N175 PolarHBondContact O-ND2 3.46Å
146	A	98.7	Very high	97.8	Very high	1 Å²	1	47 Å²	47	1%	0.008	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	149.9	-175.3	0	0	0	0	0	112.4	R122 F123 S144 N148 D171 S173	R122-A146 CarbonylContact C-O 3.56Å; R122-A146 WeakPolarHBondContact CA-O 3.47Å; R122-A146 HydrophobicContact CB-CB 4.04Å; R122-A146 WeakPolarHBondContact CB-O 3.36Å; F123-A146 PolarHBondContact N-O 3.43Å; S144-A146 PolarHBondContact OG-N 3.23Å; A146-N148 VanDerWaalsContact C-N 3.29Å; A146-N148 PolarHBondContact O-N 3.17Å; A146-N148 PolarHBondContact O-ND2 3.16Å; A146-D171 PolarHBondContact N-O 3.19Å; A146-S173 CarbonylContact C-O 3.57Å; A146-S173 WeakPolarHBondContact CA-O 3.25Å; A146-S173 WeakPolarHBondContact CB-OG 3.19Å
147	F	98.6	Very high	97.8	Very high	94 Å²	94	43.1 Å²	43.1	41%	0.412	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	42.5	176.7	-59.3	-83	0	0	0	113.8	F123 S173 G174	F123-F147 VanDerWaalsContact CA-O 3.26Å; F123-F147 WeakPolarHBondContact CA-O 3.34Å; F123-F147 HydrophobicContact CD1-CB 3.42Å; F123-F147 VanDerWaalsContact CD1-CB 3.42Å; F123-F147 HydrophobicContact CD1-CD1 4.42Å; F123-F147 HydrophobicContact CD1-CD2 4.38Å; F123-F147 AromaticContact CD1-CG 3.84Å; F123-F147 HydrophobicContact CD1-CG 3.84Å; F123-F147 HydrophobicContact CE1-CB 3.56Å; F123-F147 AromaticContact CE1-CD1 3.74Å; F123-F147 HydrophobicContact CE1-CD1 3.74Å; F123-F147 AromaticContact CE1-CD2 3.77Å; F123-F147 HydrophobicContact CE1-CD2 3.77Å; F123-F147 HydrophobicContact CE1-CE1 4.38Å; F123-F147 HydrophobicContact CE1-CE2 4.41Å; F123-F147 AromaticContact CE1-CG 3.39Å; F123-F147 HydrophobicContact CE1-CG 3.39Å; F123-F147 HydrophobicContact CE2-CD2 4.01Å; F123-F147 HydrophobicContact CE2-CG 4.42Å; F123-F147 HydrophobicContact CG-CB 3.94Å; F123-F147 HydrophobicContact CZ-CB 4.17Å; F123-F147 HydrophobicContact CZ-CD1 4.23Å; F123-F147 AromaticContact CZ-CD2 3.54Å; F123-F147 HydrophobicContact CZ-CD2 3.54Å; F123-F147 AromaticContact CZ-CE2 3.94Å; F123-F147 HydrophobicContact CZ-CE2 3.94Å; F123-F147 AromaticContact CZ-CG 3.71Å; F123-F147 HydrophobicContact CZ-CG 3.71Å; F123-F147 HydrophobicContact CZ-CZ 4.43Å; F123-F147 PolarHBondContact N-O 3.12Å; F147-S173 PolarHBondContact N-O 2.93Å; F147-G174 VanDerWaalsContact CA-O 3.3Å; F147-G174 WeakPolarHBondContact CA-O 3.48Å
148	N	98.6	Very high	97.7	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.048	22%	0.22	C	C	.	.	S	Bend	trans	-103.4	-158.3	171.6	-84.6	-80.4	0	0	0	110.3	L121 N124 A125 L126 L145 A146 I150 N175	L121-N148 PolarHBondContact O-ND2 2.92Å; N124-N148 WeakPolarHBondContact CA-OD1 3.5Å; N124-N148 WeakPolarHBondContact CB-OD1 3.37Å; N124-N148 PolarHBondContact N-OD1 2.7Å; N124-N148 PolarHBondContact O-OD1 3.37Å; A125-N148 PolarHBondContact N-OD1 3.34Å; L126-N148 HydrophobicContact CB-CB 4.19Å; L126-N148 WeakPolarHBondContact CB-OD1 3.18Å; L126-N148 WeakPolarHBondContact CG-OD1 3.29Å; L126-N148 PolarHBondContact N-OD1 3.32Å; L145-N148 VanDerWaalsContact C-ND2 3.31Å; L145-N148 WeakPolarHBondContact O-CB 3.3Å; L145-N148 PolarHBondContact O-ND2 2.87Å; A146-N148 VanDerWaalsContact C-N 3.29Å; A146-N148 PolarHBondContact O-N 3.17Å; A146-N148 PolarHBondContact O-ND2 3.16Å; N148-I150 HydrophobicContact CB-CG1 4.35Å; N148-N175 WeakPolarHBondContact CA-OD1 3.45Å; N148-N175 WeakPolarHBondContact CB-OD1 3.39Å; N148-N175 PolarHBondContact N-OD1 3.44Å; N148-N175 PolarHBondContact O-OD1 2.85Å
149	R	97.5	Very high	97.6	Very high	139 Å²	139	39.7 Å²	39.7	53%	0.525	22%	0.216	S	C	.	.			trans	-122.1	29.2	-175.9	-59.7	178.4	-176	168.7	0.8	112	L126 P151 N175	L126-R149 CarbonylContact O-C 3.58Å; L126-R149 WeakPolarHBondContact O-CA 3.29Å; L126-R149 PolarHBondContact O-N 3.14Å; R149-P151 WeakPolarHBondContact O-CD 3.38Å; R149-N175 PolarHBondContact N-OD1 3.48Å
150	I	98.2	Very high	97.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.			trans	-74.9	117.6	-176.2	-55.3	175.3	0	0	0	109.1	L126 V129 L145 N148 S152 I153 L172 N175 R176 L177	L126-I150 WeakPolarHBondContact O-CG1 3.29Å; L126-I150 PolarHBondContact O-N 2.89Å; V129-I150 HydrophobicContact CG2-CD1 4.47Å; L145-I150 HydrophobicContact CB-CD1 4.26Å; L145-I150 HydrophobicContact CD1-CD1 4.16Å; N148-I150 HydrophobicContact CB-CG1 4.35Å; I150-S152 VanDerWaalsContact CG2-O 3.28Å; I150-S152 WeakPolarHBondContact CG2-O 3.41Å; I150-I153 HydrophobicContact CG2-CD1 3.82Å; I150-L172 HydrophobicContact CD1-CD2 3.95Å; I150-N175 HydrophobicContact CB-CB 4.32Å; I150-N175 WeakPolarHBondContact CB-OD1 3.36Å; I150-N175 WeakPolarHBondContact CG1-OD1 3.36Å; I150-N175 PolarHBondContact N-OD1 3.49Å; I150-N175 VanDerWaalsContact N-OD1 3.08Å; I150-R176 CarbonylContact O-C 3.56Å; I150-R176 WeakPolarHBondContact O-CA 3.25Å; I150-R176 PolarHBondContact O-N 3.48Å; I150-L177 HydrophobicContact CB-CD2 4.42Å; I150-L177 HydrophobicContact CG2-CD2 3.83Å; I150-L177 PolarHBondContact O-N 3.1Å
151	P	97.6	Very high	97.5	Very high	62 Å²	62	40.5 Å²	40.5	40%	0.403	23%	0.225	S	C	.	.			trans	-86.7	-26.4	-177	34	-33.6	0	0	0	113.6	G127 R149 R176 L177 T178	G127-P151 WeakPolarHBondContact O-CD 3.31Å; R149-P151 WeakPolarHBondContact O-CD 3.38Å; P151-R176 VanDerWaalsContact O-O 3.12Å; P151-L177 WeakPolarHBondContact O-CA 3.3Å; P151-T178 PolarHBondContact O-N 3.29Å
152	S	97.5	Very high	97.5	Very high	52 Å²	52	40.7 Å²	40.7	36%	0.364	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	163.6	179.6	60.1	0	0	0	0	110.6	I150 D179	I150-S152 VanDerWaalsContact CG2-O 3.28Å; I150-S152 WeakPolarHBondContact CG2-O 3.41Å; S152-D179 WeakPolarHBondContact CB-OD1 3.17Å
153	I	97.9	Very high	97.4	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.7	170.7	-49.7	-63.4	0	0	0	108.3	V129 I150 F158 L172 L177 L180 D181 A184	V129-I153 HydrophobicContact CG2-CD1 3.6Å; I150-I153 HydrophobicContact CG2-CD1 3.82Å; I153-F158 HydrophobicContact CG2-CE2 4.25Å; I153-L172 HydrophobicContact CD1-CD1 4.02Å; I153-L172 HydrophobicContact CD1-CD2 4.04Å; I153-L172 HydrophobicContact CG1-CD1 4.3Å; I153-L177 HydrophobicContact CD1-CD2 3.92Å; I153-L177 HydrophobicContact CG1-CD1 4.38Å; I153-L177 HydrophobicContact CG1-CD2 3.88Å; I153-L180 HydrophobicContact CB-CD2 4.49Å; I153-L180 HydrophobicContact CB-CG 4.21Å; I153-L180 HydrophobicContact CG1-CD2 4.18Å; I153-L180 HydrophobicContact CG1-CG 4.07Å; I153-D181 WeakPolarHBondContact O-CB 3.24Å; I153-D181 PolarHBondContact O-N 3.16Å; I153-A184 HydrophobicContact CB-CB 3.89Å; I153-A184 HydrophobicContact CG2-CB 3.55Å
154	G	95.6	Very high	97.3	Very high	35 Å²	35	38.2 Å²	38.2	36%	0.361	23%	0.225	S	C	.	.			trans	-77.6	170	178.9	0	0	0	0	0	112.8	S157	G154-S157 PolarHBondContact N-OG 3.24Å; G154-S157 PolarHBondContact O-N 3.12Å; G154-S157 PolarHBondContact O-OG 2.64Å
155	A	95.8	Very high	97.2	Very high	50 Å²	50	41.4 Å²	41.4	41%	0.413	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	138.3	177.1	0	0	0	0	0	112.6	S157 D181 N183	A155-S157 PolarHBondContact O-N 3.14Å; A155-S157 VanDerWaalsContact O-N 3.13Å; A155-D181 WeakPolarHBondContact CA-OD1 3.2Å; A155-D181 VanDerWaalsContact CB-OD1 3.31Å; A155-D181 WeakPolarHBondContact CB-OD1 3.49Å; A155-N183 HydrophobicContact CB-CB 4.33Å
156	N	95.4	Very high	97.2	Very high	73 Å²	73	47.4 Å²	47.4	39%	0.39	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	25.3	171.7	-57.9	-52.1	0	0	0	114.3	F158 A159 N183 H186	N156-F158 PolarHBondContact O-N 2.84Å; N156-A159 HydrophobicContact CB-CB 3.76Å; N156-A159 PolarHBondContact O-N 3.19Å; N156-A159 VanDerWaalsContact O-N 3.09Å; N156-N183 PolarHBondContact N-O 3.24Å; N156-H186 PolarHBondContact OD1-CD2 3.28Å; N156-H186 VanDerWaalsContact OD1-CD2 3.23Å
157	S	96.3	Very high	97.2	Very high	20 Å²	20	47.3 Å²	47.3	14%	0.14	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.9	-178.5	-70.2	0	0	0	0	113.3	G154 A155	G154-S157 PolarHBondContact N-OG 3.24Å; G154-S157 PolarHBondContact O-N 3.12Å; G154-S157 PolarHBondContact O-OG 2.64Å; A155-S157 PolarHBondContact O-N 3.14Å; A155-S157 VanDerWaalsContact O-N 3.13Å
158	F	97.5	Very high	97.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	1.4	179.8	-58.5	-85.8	0	0	0	114.3	V129 L143 I153 N156 Q160 Y161 I170 A184 F185 L188	V129-F158 HydrophobicContact CB-CZ 4.27Å; V129-F158 HydrophobicContact CG1-CD1 3.99Å; V129-F158 HydrophobicContact CG1-CE1 3.38Å; V129-F158 HydrophobicContact CG1-CE2 4.29Å; V129-F158 HydrophobicContact CG1-CZ 3.55Å; V129-F158 HydrophobicContact CG2-CE1 4.4Å; V129-F158 HydrophobicContact CG2-CE2 4.18Å; V129-F158 HydrophobicContact CG2-CZ 3.71Å; L143-F158 HydrophobicContact CD2-CE1 4.26Å; I153-F158 HydrophobicContact CG2-CE2 4.25Å; N156-F158 PolarHBondContact O-N 2.84Å; F158-Q160 PolarHBondContact O-N 3.32Å; F158-Q160 VanDerWaalsContact O-N 3.11Å; F158-Y161 HydrophobicContact CB-CD2 4.28Å; F158-Y161 HydrophobicContact CD1-CD1 4.42Å; F158-Y161 HydrophobicContact CD1-CD2 4.3Å; F158-Y161 HydrophobicContact CD1-CE1 4.03Å; F158-Y161 AromaticContact CD1-CE2 3.93Å; F158-Y161 HydrophobicContact CD1-CE2 3.93Å; F158-Y161 AromaticContact CD1-CZ 3.77Å; F158-Y161 WeakPolarHBondContact O-CB 3.43Å; F158-Y161 PolarHBondContact O-N 3.08Å; F158-I170 HydrophobicContact CD1-CD1 4.06Å; F158-I170 HydrophobicContact CE1-CD1 3.64Å; F158-I170 HydrophobicContact CE2-CD1 4.19Å; F158-I170 HydrophobicContact CG-CD1 4.49Å; F158-I170 HydrophobicContact CZ-CD1 3.72Å; F158-A184 VanDerWaalsContact CD2-O 3.26Å; F158-A184 WeakPolarHBondContact CD2-O 3.44Å; F158-F185 HydrophobicContact CD2-CD1 4.21Å; F158-F185 AromaticContact CE2-CD1 3.87Å; F158-F185 HydrophobicContact CE2-CD1 3.87Å; F158-F185 HydrophobicContact CE2-CE1 4.16Å; F158-L188 HydrophobicContact CB-CD1 3.8Å; F158-L188 HydrophobicContact CB-CD2 3.78Å; F158-L188 HydrophobicContact CB-CG 3.65Å; F158-L188 HydrophobicContact CD1-CD1 4.13Å; F158-L188 HydrophobicContact CD1-CD2 4.45Å; F158-L188 HydrophobicContact CD2-CD1 3.94Å; F158-L188 HydrophobicContact CG-CD1 3.69Å; F158-L188 HydrophobicContact CG-CD2 4.3Å; F158-L188 HydrophobicContact CG-CG 4.13Å
159	A	95.6	Very high	97.2	Very high	44 Å²	44	47.7 Å²	47.7	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.1	-171.7	0	0	0	0	0	113.8	N156 H186	N156-A159 HydrophobicContact CB-CB 3.76Å; N156-A159 PolarHBondContact O-N 3.19Å; N156-A159 VanDerWaalsContact O-N 3.09Å; A159-H186 PolarHBondContact N-O 2.92Å
160	Q	95.7	Very high	97.3	Very high	139 Å²	139	41.2 Å²	41.2	65%	0.65	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.8	-179.6	-63	178.9	40.5	0	0	113.6	I131 F158 A162	I131-Q160 HydrophobicContact CG2-CB 4.46Å; F158-Q160 PolarHBondContact O-N 3.32Å; F158-Q160 VanDerWaalsContact O-N 3.11Å; Q160-A162 PolarHBondContact O-N 3.18Å
161	Y	97.8	Very high	97.3	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.012	25%	0.249	C	C	.	.			trans	-69.9	118.5	-177.6	-82.3	-129.3	0	0	0	110.9	P130 V134 L143 F158 S163 S164 L167	P130-Y161 PolarHBondContact O-OH 3.4Å; V134-Y161 HydrophobicContact CB-CE1 4.47Å; V134-Y161 HydrophobicContact CG1-CD1 4.48Å; V134-Y161 HydrophobicContact CG1-CE1 3.56Å; L143-Y161 HydrophobicContact CD2-CE1 3.91Å; F158-Y161 HydrophobicContact CB-CD2 4.28Å; F158-Y161 HydrophobicContact CD1-CD1 4.42Å; F158-Y161 HydrophobicContact CD1-CD2 4.3Å; F158-Y161 HydrophobicContact CD1-CE1 4.03Å; F158-Y161 AromaticContact CD1-CE2 3.93Å; F158-Y161 HydrophobicContact CD1-CE2 3.93Å; F158-Y161 AromaticContact CD1-CZ 3.77Å; F158-Y161 WeakPolarHBondContact O-CB 3.43Å; F158-Y161 PolarHBondContact O-N 3.08Å; Y161-S163 PolarHBondContact O-N 2.91Å; Y161-S164 WeakPolarHBondContact O-CB 3.32Å; Y161-S164 PolarHBondContact O-N 2.81Å; Y161-S164 PolarHBondContact O-OG 2.93Å; Y161-L167 HydrophobicContact CD1-CD1 4.03Å; Y161-L167 HydrophobicContact CE1-CD1 4.29Å
162	A	97.6	Very high	97.3	Very high	50 Å²	50	39.8 Å²	39.8	41%	0.413	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.2	174.8	0	0	0	0	0	112.2	S135 R138 Q160 S164	S135-A162 VanDerWaalsContact O-CB 3.28Å; S135-A162 WeakPolarHBondContact O-CB 3.26Å; S135-A162 PolarHBondContact O-N 3.47Å; R138-A162 HydrophobicContact CG-CB 4.1Å; Q160-A162 PolarHBondContact O-N 3.18Å; A162-S164 PolarHBondContact O-N 2.83Å
163	S	97.9	Very high	97.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	14.7	174	64.4	0	0	0	0	114.6	L137 L140 Y161 D165 Y166 L167	L137-S163 VanDerWaalsContact O-CB 3.29Å; L137-S163 WeakPolarHBondContact O-CB 3.46Å; L137-S163 PolarHBondContact O-N 2.83Å; L140-S163 WeakPolarHBondContact O-CB 3.29Å; Y161-S163 PolarHBondContact O-N 2.91Å; S163-D165 PolarHBondContact O-N 2.88Å; S163-Y166 PolarHBondContact O-N 2.74Å; S163-L167 PolarHBondContact O-N 3.14Å
164	S	96.6	Very high	97.4	Very high	17 Å²	17	38.3 Å²	38.3	12%	0.119	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-34.6	-178.6	47.2	0	0	0	0	114.8	Y161 A162 G187 R189 A190	Y161-S164 WeakPolarHBondContact O-CB 3.32Å; Y161-S164 PolarHBondContact O-N 2.81Å; Y161-S164 PolarHBondContact O-OG 2.93Å; A162-S164 PolarHBondContact O-N 2.83Å; S164-G187 WeakPolarHBondContact CB-O 3.43Å; S164-R189 PolarHBondContact O-N 2.93Å; S164-R189 PolarHBondContact OG-NH2 3.37Å; S164-A190 PolarHBondContact O-N 2.92Å
165	D	97.2	Very high	97.6	Very high	80 Å²	80	37.2 Å²	37.2	43%	0.428	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.9	178.2	-71.3	-46.8	0	0	0	114.5	S163 R189 A190	S163-D165 PolarHBondContact O-N 2.88Å; D165-R189 IonicContact OD1-CZ 3.75Å; D165-R189 IonicContact OD1-NE 3.1Å; D165-R189 PolarHBondContact OD1-NE 2.8Å; D165-R189 IonicContact OD1-NH1 3.54Å; D165-R189 PolarHBondContact OD1-NH1 2.82Å; D165-R189 IonicContact OD1-NH2 2.64Å; D165-R189 PolarHBondContact OD1-NH2 3.19Å; D165-R189 VanDerWaalsContact OD1-NH2 3.14Å; D165-R189 IonicContact OD2-CZ 2.67Å; D165-R189 IonicContact OD2-NH1 3.24Å; D165-R189 PolarHBondContact OD2-NH1 3.39Å; D165-R189 IonicContact OD2-NH2 2.66Å; D165-R189 PolarHBondContact OD2-NH2 3.37Å; D165-A190 VanDerWaalsContact O-CB 3.29Å; D165-A190 WeakPolarHBondContact O-CB 3.42Å
166	Y	98.1	Very high	97.6	Very high	125 Å²	125	42.2 Å²	42.2	49%	0.49	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-26.2	-173.6	-64.3	-82.2	0	0	0	113.2	R138 L140 N141 S163 T168	R138-Y166 VanDerWaalsContact O-CD2 3.24Å; R138-Y166 WeakPolarHBondContact O-CD2 3.45Å; L140-Y166 CarbonylContact O-C 3.59Å; N141-Y166 WeakPolarHBondContact CA-O 3.34Å; N141-Y166 PolarHBondContact ND2-O 3.39Å; S163-Y166 PolarHBondContact O-N 2.74Å; Y166-T168 PolarHBondContact O-N 3.43Å; Y166-T168 VanDerWaalsContact O-N 3.08Å
167	L	98.4	Very high	97.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.			trans	-73.3	104.6	-175	-156.9	161.1	0	0	0	109.8	L140 L143 Y161 S163 R169 I170 L188 A190 L191	L140-L167 HydrophobicContact CD2-CD1 4.21Å; L140-L167 VanDerWaalsContact O-CA 3.28Å; L140-L167 WeakPolarHBondContact O-CA 3.34Å; L140-L167 WeakPolarHBondContact O-CB 3.34Å; L140-L167 PolarHBondContact O-N 2.92Å; L143-L167 HydrophobicContact CB-CD1 4.32Å; Y161-L167 HydrophobicContact CD1-CD1 4.03Å; Y161-L167 HydrophobicContact CE1-CD1 4.29Å; S163-L167 PolarHBondContact O-N 3.14Å; L167-R169 WeakPolarHBondContact CD2-O 3.23Å; L167-I170 HydrophobicContact CD2-CD1 3.82Å; L167-I170 HydrophobicContact CD2-CG1 3.34Å; L167-L188 HydrophobicContact CB-CD2 4.22Å; L167-L188 HydrophobicContact CD1-CD2 4.21Å; L167-L188 HydrophobicContact CD2-CD2 4.48Å; L167-A190 CarbonylContact O-C 3.25Å; L167-L191 HydrophobicContact CD2-CD1 4.24Å; L167-L191 WeakPolarHBondContact O-CA 3.37Å; L167-L191 PolarHBondContact O-N 2.85Å
168	T	98.7	Very high	97.8	Very high	33 Å²	33	41.9 Å²	41.9	20%	0.202	22%	0.217	C	C	.	.			trans	-98.7	-24.6	-176.7	58	0	0	0	0	113.7	N141 Y166 A190 S192 E193	N141-T168 WeakPolarHBondContact ND2-CG2 3.49Å; N141-T168 PolarHBondContact ND2-OG1 3.05Å; N141-T168 PolarHBondContact O-N 3.17Å; N141-T168 PolarHBondContact O-OG1 2.86Å; N141-T168 PolarHBondContact OD1-OG1 2.96Å; Y166-T168 PolarHBondContact O-N 3.43Å; Y166-T168 VanDerWaalsContact O-N 3.08Å; T168-A190 WeakPolarHBondContact CA-O 3.28Å; T168-A190 HydrophobicContact CG2-CB 4.2Å; T168-S192 PolarHBondContact O-N 3.23Å; T168-S192 PolarHBondContact O-OG 3.28Å; T168-E193 PolarHBondContact O-N 3.14Å
169	R	98.8	Very high	97.7	Very high	77 Å²	77	46.4 Å²	46.4	29%	0.291	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.4	-174.8	-47.4	-168.8	178.1	-175.8	-17.2	112.3	N141 K142 L143 L167 E193	N141-R169 PolarHBondContact O-N 3.36Å; K142-R169 WeakPolarHBondContact CA-O 3.38Å; K142-R169 HydrophobicContact CB-CB 4.41Å; K142-R169 HydrophobicContact CG-CB 4.07Å; K142-R169 HydrophobicContact CG-CG 4.15Å; L143-R169 PolarHBondContact N-O 3.26Å; L143-R169 VanDerWaalsContact N-O 3.09Å; L167-R169 WeakPolarHBondContact CD2-O 3.23Å; R169-E193 WeakPolarHBondContact CA-O 3.34Å; R169-E193 HydrophobicContact CB-CB 4.21Å; R169-E193 WeakPolarHBondContact CD-OE2 3.38Å; R169-E193 HydrophobicContact CG-CB 3.88Å; R169-E193 HydrophobicContact CG-CG 4.05Å; R169-E193 VanDerWaalsContact CZ-CD 3.47Å; R169-E193 IonicContact CZ-OE1 3.73Å; R169-E193 IonicContact CZ-OE2 3.47Å; R169-E193 VanDerWaalsContact CZ-OE2 3.23Å; R169-E193 IonicContact NE-OE1 3.43Å; R169-E193 PolarHBondContact NE-OE1 3.44Å; R169-E193 IonicContact NE-OE2 3.79Å; R169-E193 PolarHBondContact NE-OE2 3.31Å; R169-E193 VanDerWaalsContact NE-OE2 3.08Å; R169-E193 IonicContact NH1-OE2 3.54Å; R169-E193 IonicContact NH2-OE1 2.77Å; R169-E193 PolarHBondContact NH2-OE1 3.12Å; R169-E193 IonicContact NH2-OE2 3.58Å; R169-E193 PolarHBondContact NH2-OE2 3.06Å
170	I	98.5	Very high	97.8	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.015	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.9	170	-68.8	-176.3	0	0	0	109.1	L143 F158 L167 L172 F185 L188 L191 E193 I194 N195	L143-I170 WeakPolarHBondContact O-CA 3.4Å; F158-I170 HydrophobicContact CD1-CD1 4.06Å; F158-I170 HydrophobicContact CE1-CD1 3.64Å; F158-I170 HydrophobicContact CE2-CD1 4.19Å; F158-I170 HydrophobicContact CG-CD1 4.49Å; F158-I170 HydrophobicContact CZ-CD1 3.72Å; L167-I170 HydrophobicContact CD2-CD1 3.82Å; L167-I170 HydrophobicContact CD2-CG1 3.34Å; I170-L172 HydrophobicContact CG2-CD1 3.68Å; I170-L172 HydrophobicContact CG2-CG 3.67Å; I170-F185 HydrophobicContact CD1-CD1 4.36Å; I170-L188 HydrophobicContact CD1-CD1 3.24Å; I170-L188 HydrophobicContact CG1-CD1 4.48Å; I170-L191 HydrophobicContact CB-CD1 4.26Å; I170-L191 HydrophobicContact CD1-CD1 4.16Å; I170-L191 HydrophobicContact CG1-CD1 3.88Å; I170-E193 PolarHBondContact N-O 3.3Å; I170-I194 WeakPolarHBondContact O-CA 3.13Å; I170-N195 PolarHBondContact O-N 3.23Å
171	D	98.9	Very high	97.9	Very high	32 Å²	32	41.8 Å²	41.8	17%	0.171	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	110.9	173.1	175.9	18.5	0	0	0	110	L143 S144 L145 A146 S173 N195	L143-D171 PolarHBondContact O-N 3.49Å; S144-D171 PolarHBondContact OG-OD2 2.9Å; L145-D171 CarbonylContact C-O 3.55Å; L145-D171 WeakPolarHBondContact CA-O 3.43Å; L145-D171 PolarHBondContact N-O 2.94Å; A146-D171 PolarHBondContact N-O 3.19Å; D171-S173 VanDerWaalsContact OD1-CB 3.26Å; D171-S173 WeakPolarHBondContact OD1-CB 3.43Å; D171-S173 PolarHBondContact OD1-N 2.81Å; D171-S173 PolarHBondContact OD1-OG 2.89Å; D171-N195 HydrophobicContact CB-CB 4.29Å; D171-N195 PolarHBondContact OD1-ND2 2.82Å
172	L	98.8	Very high	97.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.			trans	-115.2	17.8	178.5	-75.6	162.7	0	0	0	110.7	L145 I150 I153 I170 N175 L177 F185 N195 L196 N199	L145-L172 HydrophobicContact CB-CD2 4.11Å; L145-L172 HydrophobicContact CD1-CD2 3.99Å; I150-L172 HydrophobicContact CD1-CD2 3.95Å; I153-L172 HydrophobicContact CD1-CD1 4.02Å; I153-L172 HydrophobicContact CD1-CD2 4.04Å; I153-L172 HydrophobicContact CG1-CD1 4.3Å; I170-L172 HydrophobicContact CG2-CD1 3.68Å; I170-L172 HydrophobicContact CG2-CG 3.67Å; L172-N175 PolarHBondContact O-ND2 2.77Å; L172-L177 HydrophobicContact CB-CD1 4.14Å; L172-F185 HydrophobicContact CD1-CE1 3.92Å; L172-F185 HydrophobicContact CD1-CZ 4.19Å; L172-N195 CarbonylContact C-O 3.58Å; L172-N195 WeakPolarHBondContact CA-O 3.3Å; L172-N195 PolarHBondContact N-O 3.26Å; L172-L196 HydrophobicContact CB-CD2 3.94Å; L172-L196 HydrophobicContact CD1-CD2 4.1Å; L172-N199 PolarHBondContact O-ND2 2.96Å; L172-N199 VanDerWaalsContact O-ND2 3.07Å
173	S	98.8	Very high	97.9	Very high	8 Å²	8	46.7 Å²	46.7	6%	0.056	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	154.8	-177.9	59	0	0	0	0	112.8	A146 F147 D171 N175 N195 E197	A146-S173 CarbonylContact C-O 3.57Å; A146-S173 WeakPolarHBondContact CA-O 3.25Å; A146-S173 WeakPolarHBondContact CB-OG 3.19Å; F147-S173 PolarHBondContact N-O 2.93Å; D171-S173 VanDerWaalsContact OD1-CB 3.26Å; D171-S173 WeakPolarHBondContact OD1-CB 3.43Å; D171-S173 PolarHBondContact OD1-N 2.81Å; D171-S173 PolarHBondContact OD1-OG 2.89Å; S173-N175 PolarHBondContact O-N 3.47Å; S173-N175 PolarHBondContact O-ND2 3.45Å; S173-N195 PolarHBondContact N-O 3.26Å; S173-E197 CarbonylContact C-O 3.39Å; S173-E197 WeakPolarHBondContact CA-O 3.32Å; S173-E197 WeakPolarHBondContact CB-O 3.48Å
174	G	98.5	Very high	97.9	Very high	16 Å²	16	46.7 Å²	46.7	17%	0.165	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	23.4	175.3	0	0	0	0	0	114.8	F147 E197 A198	F147-G174 VanDerWaalsContact CA-O 3.3Å; F147-G174 WeakPolarHBondContact CA-O 3.48Å; G174-E197 PolarHBondContact N-O 3.16Å; G174-A198 CarbonylContact C-O 3.33Å; G174-A198 WeakPolarHBondContact CA-O 3.45Å; G174-A198 PolarHBondContact N-O 3.02Å
175	N	98.7	Very high	98	Very high	11 Å²	11	46 Å²	46	6%	0.059	23%	0.225	C	C	.	.	S	Bend	trans	-94.9	-161.5	175.7	-83.8	-79.1	0	0	0	110.6	L145 N148 R149 I150 L172 S173 L177 N199	L145-N175 PolarHBondContact O-ND2 3.46Å; N148-N175 WeakPolarHBondContact CA-OD1 3.45Å; N148-N175 WeakPolarHBondContact CB-OD1 3.39Å; N148-N175 PolarHBondContact N-OD1 3.44Å; N148-N175 PolarHBondContact O-OD1 2.85Å; R149-N175 PolarHBondContact N-OD1 3.48Å; I150-N175 HydrophobicContact CB-CB 4.32Å; I150-N175 WeakPolarHBondContact CB-OD1 3.36Å; I150-N175 WeakPolarHBondContact CG1-OD1 3.36Å; I150-N175 PolarHBondContact N-OD1 3.49Å; I150-N175 VanDerWaalsContact N-OD1 3.08Å; L172-N175 PolarHBondContact O-ND2 2.77Å; S173-N175 PolarHBondContact O-N 3.47Å; S173-N175 PolarHBondContact O-ND2 3.45Å; N175-L177 HydrophobicContact CB-CG 4.18Å; N175-N199 VanDerWaalsContact CA-OD1 3.28Å; N175-N199 WeakPolarHBondContact CA-OD1 3.15Å; N175-N199 WeakPolarHBondContact CB-OD1 3.45Å; N175-N199 PolarHBondContact N-OD1 2.89Å; N175-N199 PolarHBondContact O-OD1 2.67Å
176	R	97.1	Very high	98	Very high	155 Å²	155	45.5 Å²	45.5	59%	0.585	22%	0.22	S	C	*	.			trans	-115.6	27.8	179.6	-59.7	179.1	-177.8	-174.6	-2.5	111.4	I150 P151 T178 N199	I150-R176 CarbonylContact O-C 3.56Å; I150-R176 WeakPolarHBondContact O-CA 3.25Å; I150-R176 PolarHBondContact O-N 3.48Å; P151-R176 VanDerWaalsContact O-O 3.12Å; R176-T178 PolarHBondContact O-N 3.32Å; R176-N199 PolarHBondContact N-OD1 3.19Å
177	L	98.4	Very high	97.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.			trans	-64.3	119.8	-173.1	-61	176	0	0	0	110.7	I150 P151 I153 L172 N175 L196 N199 S200 L201	I150-L177 HydrophobicContact CB-CD2 4.42Å; I150-L177 HydrophobicContact CG2-CD2 3.83Å; I150-L177 PolarHBondContact O-N 3.1Å; P151-L177 WeakPolarHBondContact O-CA 3.3Å; I153-L177 HydrophobicContact CD1-CD2 3.92Å; I153-L177 HydrophobicContact CG1-CD1 4.38Å; I153-L177 HydrophobicContact CG1-CD2 3.88Å; L172-L177 HydrophobicContact CB-CD1 4.14Å; N175-L177 HydrophobicContact CB-CG 4.18Å; L177-L196 HydrophobicContact CD1-CD2 3.53Å; L177-N199 HydrophobicContact CB-CB 4.01Å; L177-N199 VanDerWaalsContact CB-OD1 3.25Å; L177-N199 WeakPolarHBondContact CB-OD1 3.27Å; L177-N199 VanDerWaalsContact CG-OD1 3.28Å; L177-N199 WeakPolarHBondContact CG-OD1 3.15Å; L177-N199 PolarHBondContact N-OD1 3.14Å; L177-S200 CarbonylContact O-C 3.25Å; L177-S200 VanDerWaalsContact O-C 3.27Å; L177-S200 WeakPolarHBondContact O-CA 3.5Å; L177-S200 PolarHBondContact O-N 3.01Å; L177-L201 HydrophobicContact CB-CD2 4.26Å; L177-L201 PolarHBondContact O-N 2.71Å
178	T	97.2	Very high	97.7	Very high	87 Å²	87	40.5 Å²	40.5	53%	0.534	21%	0.207	S	C	.	.	S	Bend	trans	-103	-30.4	170.4	51.5	0	0	0	0	112.1	P151 R176	P151-T178 PolarHBondContact O-N 3.29Å; R176-T178 PolarHBondContact O-N 3.32Å
179	D	94.5	Very high	97.6	Very high	94 Å²	94	45.2 Å²	45.2	50%	0.503	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	163.8	179.2	62.8	9.7	0	0	0	112	S152	S152-D179 WeakPolarHBondContact CB-OD1 3.17Å
180	L	98.1	Very high	97.6	Very high	22 Å²	22	42.8 Å²	42.8	12%	0.115	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.7	173.8	-72.4	84.5	0	0	0	107.6	I153 A184 F185 L196 L201 P205 A208	I153-L180 HydrophobicContact CB-CD2 4.49Å; I153-L180 HydrophobicContact CB-CG 4.21Å; I153-L180 HydrophobicContact CG1-CD2 4.18Å; I153-L180 HydrophobicContact CG1-CG 4.07Å; L180-A184 HydrophobicContact CB-CB 4.09Å; L180-A184 HydrophobicContact CD2-CB 4.44Å; L180-F185 HydrophobicContact CD2-CE2 3.44Å; L180-F185 VanDerWaalsContact CD2-CE2 3.44Å; L180-F185 HydrophobicContact CD2-CZ 3.51Å; L180-L196 HydrophobicContact CD2-CD1 4.37Å; L180-L196 HydrophobicContact CD2-CD2 4.3Å; L180-L201 HydrophobicContact CD1-CD1 4.31Å; L180-L201 HydrophobicContact CD1-CD2 3.56Å; L180-P205 HydrophobicContact CB-CB 4.31Å; L180-P205 HydrophobicContact CD1-CB 4.11Å; L180-P205 HydrophobicContact CD1-CG 4.41Å; L180-A208 HydrophobicContact CB-CB 3.84Å; L180-A208 HydrophobicContact CD2-CB 4.38Å
181	D	98	Very high	97.6	Very high	65 Å²	65	42.7 Å²	42.7	35%	0.348	22%	0.217	S	C	.	.			trans	-61	152.9	172.4	-172.4	-91.9	0	0	0	111.4	I153 A155 N183 A184 A208	I153-D181 WeakPolarHBondContact O-CB 3.24Å; I153-D181 PolarHBondContact O-N 3.16Å; A155-D181 WeakPolarHBondContact CA-OD1 3.2Å; A155-D181 VanDerWaalsContact CB-OD1 3.31Å; A155-D181 WeakPolarHBondContact CB-OD1 3.49Å; D181-N183 PolarHBondContact O-N 3.19Å; D181-N183 PolarHBondContact OD1-N 2.8Å; D181-A184 HydrophobicContact CB-CB 4.45Å; D181-A184 WeakPolarHBondContact O-CB 3.45Å; D181-A184 PolarHBondContact O-N 3.09Å; D181-A208 VanDerWaalsContact O-CB 3.3Å; D181-A208 WeakPolarHBondContact O-CB 3.42Å
182	E	97.6	Very high	97.5	Very high	98 Å²	98	42.1 Å²	42.1	46%	0.458	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.4	177.4	-176.6	175.1	-177.9	0	0	112.2	P207 A208 R210	E182-P207 HydrophobicContact CB-CB 4.09Å; E182-P207 HydrophobicContact CG-CB 3.98Å; E182-A208 WeakPolarHBondContact O-CA 3.35Å; E182-R210 IonicContact OE1-NH1 3.38Å
183	N	97.7	Very high	97.5	Very high	58 Å²	58	43.9 Å²	43.9	31%	0.31	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	21.2	177.3	-59.7	-56.7	0	0	0	112.3	A155 N156 D181 F185 H186	A155-N183 HydrophobicContact CB-CB 4.33Å; N156-N183 PolarHBondContact N-O 3.24Å; D181-N183 PolarHBondContact O-N 3.19Å; D181-N183 PolarHBondContact OD1-N 2.8Å; N183-F185 VanDerWaalsContact C-N 3.31Å; N183-F185 PolarHBondContact O-N 3.15Å; N183-H186 HydrophobicContact CB-CB 3.95Å; N183-H186 VanDerWaalsContact O-CB 3.28Å; N183-H186 WeakPolarHBondContact O-CB 3.24Å; N183-H186 PolarHBondContact O-N 2.64Å; N183-H186 VanDerWaalsContact O-N 3.14Å
184	A	97.7	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-46.3	-177.3	0	0	0	0	0	112.6	I153 F158 L180 D181 A208	I153-A184 HydrophobicContact CB-CB 3.89Å; I153-A184 HydrophobicContact CG2-CB 3.55Å; F158-A184 VanDerWaalsContact CD2-O 3.26Å; F158-A184 WeakPolarHBondContact CD2-O 3.44Å; L180-A184 HydrophobicContact CB-CB 4.09Å; L180-A184 HydrophobicContact CD2-CB 4.44Å; D181-A184 HydrophobicContact CB-CB 4.45Å; D181-A184 WeakPolarHBondContact O-CB 3.45Å; D181-A184 PolarHBondContact O-N 3.09Å; A184-A208 HydrophobicContact CB-CB 4.19Å
185	F	97.9	Very high	97.6	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	11.6	-179.4	-59	-66	0	0	0	113.5	F158 I170 L172 L180 N183 G187 L188 L191 I194 A208 L209 H212	F158-F185 HydrophobicContact CD2-CD1 4.21Å; F158-F185 AromaticContact CE2-CD1 3.87Å; F158-F185 HydrophobicContact CE2-CD1 3.87Å; F158-F185 HydrophobicContact CE2-CE1 4.16Å; I170-F185 HydrophobicContact CD1-CD1 4.36Å; L172-F185 HydrophobicContact CD1-CE1 3.92Å; L172-F185 HydrophobicContact CD1-CZ 4.19Å; L180-F185 HydrophobicContact CD2-CE2 3.44Å; L180-F185 VanDerWaalsContact CD2-CE2 3.44Å; L180-F185 HydrophobicContact CD2-CZ 3.51Å; N183-F185 VanDerWaalsContact C-N 3.31Å; N183-F185 PolarHBondContact O-N 3.15Å; F185-G187 PolarHBondContact O-N 3.38Å; F185-L188 HydrophobicContact CB-CD1 4.31Å; F185-L188 HydrophobicContact CD1-CD1 4.3Å; F185-L188 PolarHBondContact O-N 3.02Å; F185-L191 HydrophobicContact CB-CD2 4.1Å; F185-L191 HydrophobicContact CD1-CD2 4.2Å; F185-L191 HydrophobicContact CG-CD2 4.18Å; F185-I194 HydrophobicContact CD2-CD1 4.15Å; F185-I194 HydrophobicContact CE2-CD1 4Å; F185-I194 HydrophobicContact CG-CD1 4.49Å; F185-I194 HydrophobicContact CZ-CD1 4.22Å; F185-I194 HydrophobicContact CZ-CG2 4.25Å; F185-A208 HydrophobicContact CD2-CB 4.34Å; F185-A208 HydrophobicContact CE2-CB 4.4Å; F185-L209 HydrophobicContact CD2-CD2 4.45Å; F185-L209 HydrophobicContact CE2-CD2 4.21Å; F185-H212 PolarHBondContact O-CE1 3.09Å; F185-H212 PolarHBondContact O-NE2 2.59Å
186	H	97	Very high	97.6	Very high	70 Å²	70	44.1 Å²	44.1	32%	0.324	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	139	-176.1	-177.1	76.6	0	0	0	111.8	N156 A159 N183 E211	N156-H186 PolarHBondContact OD1-CD2 3.28Å; N156-H186 VanDerWaalsContact OD1-CD2 3.23Å; A159-H186 PolarHBondContact N-O 2.92Å; N183-H186 HydrophobicContact CB-CB 3.95Å; N183-H186 VanDerWaalsContact O-CB 3.28Å; N183-H186 WeakPolarHBondContact O-CB 3.24Å; N183-H186 PolarHBondContact O-N 2.64Å; N183-H186 VanDerWaalsContact O-N 3.14Å; H186-E211 WeakPolarHBondContact CA-OE2 3.29Å; H186-E211 IonicContact CE1-OE1 3.03Å; H186-E211 IonicContact CG-OE1 3.05Å; H186-E211 IonicContact CG-OE2 2.69Å; H186-E211 VanDerWaalsContact ND1-CD 3.31Å; H186-E211 IonicContact ND1-OE1 3.15Å; H186-E211 PolarHBondContact ND1-OE1 3.23Å; H186-E211 IonicContact ND1-OE2 2.88Å; H186-E211 PolarHBondContact ND1-OE2 3.04Å
187	G	94.4	Very high	97.6	Very high	19 Å²	19	40.5 Å²	40.5	20%	0.196	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	-16.7	-178.8	0	0	0	0	0	115	S164 F185 R189	S164-G187 WeakPolarHBondContact CB-O 3.43Å; F185-G187 PolarHBondContact O-N 3.38Å; G187-R189 PolarHBondContact O-N 2.93Å
188	L	97.5	Very high	97.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.225	C	C	.	.			trans	-81.4	81.2	-177.2	-63.1	174.2	0	0	0	112.9	F158 L167 I170 F185 A190 L191 H212	F158-L188 HydrophobicContact CB-CD1 3.8Å; F158-L188 HydrophobicContact CB-CD2 3.78Å; F158-L188 HydrophobicContact CB-CG 3.65Å; F158-L188 HydrophobicContact CD1-CD1 4.13Å; F158-L188 HydrophobicContact CD1-CD2 4.45Å; F158-L188 HydrophobicContact CD2-CD1 3.94Å; F158-L188 HydrophobicContact CG-CD1 3.69Å; F158-L188 HydrophobicContact CG-CD2 4.3Å; F158-L188 HydrophobicContact CG-CG 4.13Å; L167-L188 HydrophobicContact CB-CD2 4.22Å; L167-L188 HydrophobicContact CD1-CD2 4.21Å; L167-L188 HydrophobicContact CD2-CD2 4.48Å; I170-L188 HydrophobicContact CD1-CD1 3.24Å; I170-L188 HydrophobicContact CG1-CD1 4.48Å; F185-L188 HydrophobicContact CB-CD1 4.31Å; F185-L188 HydrophobicContact CD1-CD1 4.3Å; F185-L188 PolarHBondContact O-N 3.02Å; L188-A190 VanDerWaalsContact C-N 3.29Å; L188-A190 PolarHBondContact O-N 3.43Å; L188-L191 HydrophobicContact CB-CB 3.9Å; L188-L191 HydrophobicContact CB-CD2 4.27Å; L188-L191 HydrophobicContact CD1-CD2 3.9Å; L188-L191 PolarHBondContact O-N 3Å; L188-H212 PolarHBondContact O-CD2 2.81Å; L188-H212 PolarHBondContact O-NE2 2.9Å; L188-H212 VanDerWaalsContact O-NE2 3.08Å
189	R	96.2	Very high	97.7	Very high	133 Å²	133	38.7 Å²	38.7	50%	0.502	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.7	-169.4	-72.7	176.2	-77.5	150.7	3.8	115.3	S164 D165 G187 R215	S164-R189 PolarHBondContact O-N 2.93Å; S164-R189 PolarHBondContact OG-NH2 3.37Å; D165-R189 IonicContact OD1-CZ 3.75Å; D165-R189 IonicContact OD1-NE 3.1Å; D165-R189 PolarHBondContact OD1-NE 2.8Å; D165-R189 IonicContact OD1-NH1 3.54Å; D165-R189 PolarHBondContact OD1-NH1 2.82Å; D165-R189 IonicContact OD1-NH2 2.64Å; D165-R189 PolarHBondContact OD1-NH2 3.19Å; D165-R189 VanDerWaalsContact OD1-NH2 3.14Å; D165-R189 IonicContact OD2-CZ 2.67Å; D165-R189 IonicContact OD2-NH1 3.24Å; D165-R189 PolarHBondContact OD2-NH1 3.39Å; D165-R189 IonicContact OD2-NH2 2.66Å; D165-R189 PolarHBondContact OD2-NH2 3.37Å; G187-R189 PolarHBondContact O-N 2.93Å; R189-R215 VanDerWaalsContact C-NH1 3.29Å; R189-R215 VanDerWaalsContact O-CD 3.3Å; R189-R215 WeakPolarHBondContact O-CD 3.28Å; R189-R215 PolarHBondContact O-NH1 3.34Å
190	A	97.6	Very high	97.9	Very high	26 Å²	26	36 Å²	36	22%	0.215	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	3.2	177.8	0	0	0	0	0	114.4	S164 D165 L167 T168 L188 S192	S164-A190 PolarHBondContact O-N 2.92Å; D165-A190 VanDerWaalsContact O-CB 3.29Å; D165-A190 WeakPolarHBondContact O-CB 3.42Å; L167-A190 CarbonylContact O-C 3.25Å; T168-A190 WeakPolarHBondContact CA-O 3.28Å; T168-A190 HydrophobicContact CG2-CB 4.2Å; L188-A190 VanDerWaalsContact C-N 3.29Å; L188-A190 PolarHBondContact O-N 3.43Å; A190-S192 PolarHBondContact O-N 2.76Å
191	L	98.5	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.			trans	-63.5	123.8	-172.8	-171.5	65.8	0	0	0	111.5	L167 I170 F185 L188 I194 R215	L167-L191 HydrophobicContact CD2-CD1 4.24Å; L167-L191 WeakPolarHBondContact O-CA 3.37Å; L167-L191 PolarHBondContact O-N 2.85Å; I170-L191 HydrophobicContact CB-CD1 4.26Å; I170-L191 HydrophobicContact CD1-CD1 4.16Å; I170-L191 HydrophobicContact CG1-CD1 3.88Å; F185-L191 HydrophobicContact CB-CD2 4.1Å; F185-L191 HydrophobicContact CD1-CD2 4.2Å; F185-L191 HydrophobicContact CG-CD2 4.18Å; L188-L191 HydrophobicContact CB-CB 3.9Å; L188-L191 HydrophobicContact CB-CD2 4.27Å; L188-L191 HydrophobicContact CD1-CD2 3.9Å; L188-L191 PolarHBondContact O-N 3Å; L191-I194 HydrophobicContact CD1-CG1 4.23Å; L191-I194 HydrophobicContact CD2-CD1 3.66Å; L191-I194 HydrophobicContact CD2-CG1 3.81Å; L191-I194 HydrophobicContact CG-CD1 4.31Å; L191-I194 HydrophobicContact CG-CG1 4.05Å; L191-R215 WeakPolarHBondContact O-CB 3.42Å
192	S	98.5	Very high	97.8	Very high	20 Å²	20	35.5 Å²	35.5	14%	0.14	20%	0.199	C	C	.	.			trans	-130.9	-18.8	-176.9	63.4	0	0	0	0	113.2	T168 A190 R215 L216 K217 N218	T168-S192 PolarHBondContact O-N 3.23Å; T168-S192 PolarHBondContact O-OG 3.28Å; A190-S192 PolarHBondContact O-N 2.76Å; S192-R215 WeakPolarHBondContact CB-O 3.43Å; S192-L216 WeakPolarHBondContact O-CA 3.29Å; S192-K217 PolarHBondContact O-N 2.81Å; S192-N218 PolarHBondContact O-N 3.32Å; S192-N218 VanDerWaalsContact O-N 3.1Å
193	E	98.8	Very high	97.8	Very high	38 Å²	38	33.5 Å²	33.5	18%	0.178	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	127.1	-179.7	-48.8	-176.6	-150.3	0	0	110.6	T168 R169 I170 N218	T168-E193 PolarHBondContact O-N 3.14Å; R169-E193 WeakPolarHBondContact CA-O 3.34Å; R169-E193 HydrophobicContact CB-CB 4.21Å; R169-E193 WeakPolarHBondContact CD-OE2 3.38Å; R169-E193 HydrophobicContact CG-CB 3.88Å; R169-E193 HydrophobicContact CG-CG 4.05Å; R169-E193 VanDerWaalsContact CZ-CD 3.47Å; R169-E193 IonicContact CZ-OE1 3.73Å; R169-E193 IonicContact CZ-OE2 3.47Å; R169-E193 VanDerWaalsContact CZ-OE2 3.23Å; R169-E193 IonicContact NE-OE1 3.43Å; R169-E193 PolarHBondContact NE-OE1 3.44Å; R169-E193 IonicContact NE-OE2 3.79Å; R169-E193 PolarHBondContact NE-OE2 3.31Å; R169-E193 VanDerWaalsContact NE-OE2 3.08Å; R169-E193 IonicContact NH1-OE2 3.54Å; R169-E193 IonicContact NH2-OE1 2.77Å; R169-E193 PolarHBondContact NH2-OE1 3.12Å; R169-E193 IonicContact NH2-OE2 3.58Å; R169-E193 PolarHBondContact NH2-OE2 3.06Å; I170-E193 PolarHBondContact N-O 3.3Å; E193-N218 WeakPolarHBondContact CA-O 3.35Å; E193-N218 HydrophobicContact CB-CB 4.01Å; E193-N218 HydrophobicContact CG-CB 3.85Å; E193-N218 PolarHBondContact OE2-ND2 2.98Å; E193-N218 VanDerWaalsContact OE2-ND2 3.16Å
194	I	98.7	Very high	97.8	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.5	177.2	-65.6	173.7	0	0	0	108.5	I170 F185 L191 L196 L209 L216 N218 L219 N220	I170-I194 WeakPolarHBondContact O-CA 3.13Å; F185-I194 HydrophobicContact CD2-CD1 4.15Å; F185-I194 HydrophobicContact CE2-CD1 4Å; F185-I194 HydrophobicContact CG-CD1 4.49Å; F185-I194 HydrophobicContact CZ-CD1 4.22Å; F185-I194 HydrophobicContact CZ-CG2 4.25Å; L191-I194 HydrophobicContact CD1-CG1 4.23Å; L191-I194 HydrophobicContact CD2-CD1 3.66Å; L191-I194 HydrophobicContact CD2-CG1 3.81Å; L191-I194 HydrophobicContact CG-CD1 4.31Å; L191-I194 HydrophobicContact CG-CG1 4.05Å; I194-L196 HydrophobicContact CG2-CD1 3.76Å; I194-L196 HydrophobicContact CG2-CD2 4.43Å; I194-L196 HydrophobicContact CG2-CG 3.66Å; I194-L209 HydrophobicContact CD1-CD2 3.59Å; I194-L216 HydrophobicContact CD1-CD1 4.17Å; I194-L216 HydrophobicContact CD1-CD2 3.71Å; I194-L216 HydrophobicContact CG1-CD2 3.84Å; I194-N218 PolarHBondContact N-O 2.99Å; I194-L219 HydrophobicContact CB-CD1 4.16Å; I194-L219 HydrophobicContact CG2-CD1 4.21Å; I194-L219 WeakPolarHBondContact O-CA 3.32Å; I194-N220 PolarHBondContact O-N 2.96Å
195	N	98.9	Very high	97.7	Very high	35 Å²	35	31.9 Å²	31.9	19%	0.187	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117.9	168.9	-170.2	-1	0	0	0	110.6	I170 D171 L172 S173 E197 N220	I170-N195 PolarHBondContact O-N 3.23Å; D171-N195 HydrophobicContact CB-CB 4.29Å; D171-N195 PolarHBondContact OD1-ND2 2.82Å; L172-N195 CarbonylContact C-O 3.58Å; L172-N195 WeakPolarHBondContact CA-O 3.3Å; L172-N195 PolarHBondContact N-O 3.26Å; S173-N195 PolarHBondContact N-O 3.26Å; N195-E197 WeakPolarHBondContact OD1-CB 3.41Å; N195-E197 PolarHBondContact OD1-N 2.81Å; N195-N220 HydrophobicContact CB-CB 4.4Å; N195-N220 WeakPolarHBondContact OD1-CB 3.39Å; N195-N220 PolarHBondContact OD1-ND2 3.26Å
196	L	98.8	Very high	97.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.205	C	C	.	.			trans	-121.9	18.1	177.1	-68.8	166.2	0	0	0	111.3	L172 L177 L180 I194 N199 L201 P205 N220 L221 N224	L172-L196 HydrophobicContact CB-CD2 3.94Å; L172-L196 HydrophobicContact CD1-CD2 4.1Å; L177-L196 HydrophobicContact CD1-CD2 3.53Å; L180-L196 HydrophobicContact CD2-CD1 4.37Å; L180-L196 HydrophobicContact CD2-CD2 4.3Å; I194-L196 HydrophobicContact CG2-CD1 3.76Å; I194-L196 HydrophobicContact CG2-CD2 4.43Å; I194-L196 HydrophobicContact CG2-CG 3.66Å; L196-N199 PolarHBondContact O-ND2 3.19Å; L196-L201 HydrophobicContact CB-CD1 4.18Å; L196-L201 HydrophobicContact CD1-CD1 4.24Å; L196-P205 HydrophobicContact CD1-CG 4.05Å; L196-N220 CarbonylContact C-O 3.57Å; L196-N220 WeakPolarHBondContact CA-O 3.23Å; L196-N220 PolarHBondContact N-O 2.86Å; L196-L221 HydrophobicContact CB-CD2 4.02Å; L196-L221 HydrophobicContact CD1-CD2 3.96Å; L196-N224 PolarHBondContact O-ND2 3.47Å
197	E	98.8	Very high	97.6	Very high	79 Å²	79	34.2 Å²	34.2	37%	0.369	21%	0.212	S	C	.	.			trans	-56.1	151.5	-180	-173.1	-175.6	164.2	0	0	112.4	S173 G174 N195 N199 N220 G222 A223	S173-E197 CarbonylContact C-O 3.39Å; S173-E197 WeakPolarHBondContact CA-O 3.32Å; S173-E197 WeakPolarHBondContact CB-O 3.48Å; G174-E197 PolarHBondContact N-O 3.16Å; N195-E197 WeakPolarHBondContact OD1-CB 3.41Å; N195-E197 PolarHBondContact OD1-N 2.81Å; E197-N199 PolarHBondContact O-N 3.45Å; E197-N199 PolarHBondContact O-ND2 2.84Å; E197-N199 VanDerWaalsContact O-ND2 3.14Å; E197-N220 PolarHBondContact OE2-ND2 3.22Å; E197-G222 CarbonylContact C-O 3.27Å; E197-G222 WeakPolarHBondContact CA-O 3.32Å; E197-G222 WeakPolarHBondContact CG-O 3.25Å; E197-A223 HydrophobicContact CG-CB 4.37Å
198	A	98.6	Very high	97.8	Very high	38 Å²	38	33.4 Å²	33.4	31%	0.314	20%	0.203	S	C	.	.	S	Bend	trans	57.1	48.5	172.5	0	0	0	0	0	112.6	G174 G222 A223	G174-A198 CarbonylContact C-O 3.33Å; G174-A198 WeakPolarHBondContact CA-O 3.45Å; G174-A198 PolarHBondContact N-O 3.02Å; A198-G222 PolarHBondContact N-O 3.13Å; A198-A223 WeakPolarHBondContact CA-O 3.34Å; A198-A223 HydrophobicContact CB-CB 4.19Å; A198-A223 PolarHBondContact N-O 2.72Å
199	N	98.7	Very high	97.8	Very high	11 Å²	11	33.6 Å²	33.6	6%	0.059	20%	0.204	C	C	.	.	S	Bend	trans	-118.5	-158.9	173.2	-82.6	-76.7	0	0	0	109.7	L172 N175 R176 L177 L196 E197 L201 A223 N224	L172-N199 PolarHBondContact O-ND2 2.96Å; L172-N199 VanDerWaalsContact O-ND2 3.07Å; N175-N199 VanDerWaalsContact CA-OD1 3.28Å; N175-N199 WeakPolarHBondContact CA-OD1 3.15Å; N175-N199 WeakPolarHBondContact CB-OD1 3.45Å; N175-N199 PolarHBondContact N-OD1 2.89Å; N175-N199 PolarHBondContact O-OD1 2.67Å; R176-N199 PolarHBondContact N-OD1 3.19Å; L177-N199 HydrophobicContact CB-CB 4.01Å; L177-N199 VanDerWaalsContact CB-OD1 3.25Å; L177-N199 WeakPolarHBondContact CB-OD1 3.27Å; L177-N199 VanDerWaalsContact CG-OD1 3.28Å; L177-N199 WeakPolarHBondContact CG-OD1 3.15Å; L177-N199 PolarHBondContact N-OD1 3.14Å; L196-N199 PolarHBondContact O-ND2 3.19Å; E197-N199 PolarHBondContact O-N 3.45Å; E197-N199 PolarHBondContact O-ND2 2.84Å; E197-N199 VanDerWaalsContact O-ND2 3.14Å; N199-L201 HydrophobicContact CB-CG 4.42Å; N199-A223 PolarHBondContact N-O 2.86Å; N199-N224 WeakPolarHBondContact CA-OD1 3.26Å; N199-N224 WeakPolarHBondContact CB-OD1 3.3Å
200	S	97.7	Very high	97.8	Very high	39 Å²	39	35.4 Å²	35.4	27%	0.273	21%	0.211	S	C	.	.			trans	-125.5	31.4	-179.7	-67.8	0	0	0	0	112.5	L177 A202 N224	L177-S200 CarbonylContact O-C 3.25Å; L177-S200 VanDerWaalsContact O-C 3.27Å; L177-S200 WeakPolarHBondContact O-CA 3.5Å; L177-S200 PolarHBondContact O-N 3.01Å; S200-A202 PolarHBondContact O-N 3.06Å; S200-N224 PolarHBondContact N-OD1 3.02Å
201	L	97.9	Very high	97.7	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	22%	0.218	C	C	.	.			trans	-69.3	125.8	180	-58.6	174.6	0	0	0	110.5	L177 L180 L196 N199 P205 L221 N224 R225 I226	L177-L201 HydrophobicContact CB-CD2 4.26Å; L177-L201 PolarHBondContact O-N 2.71Å; L180-L201 HydrophobicContact CD1-CD1 4.31Å; L180-L201 HydrophobicContact CD1-CD2 3.56Å; L196-L201 HydrophobicContact CB-CD1 4.18Å; L196-L201 HydrophobicContact CD1-CD1 4.24Å; N199-L201 HydrophobicContact CB-CG 4.42Å; L201-P205 HydrophobicContact CD1-CG 4.48Å; L201-L221 HydrophobicContact CD1-CD2 3.97Å; L201-N224 HydrophobicContact CB-CB 4.3Å; L201-N224 WeakPolarHBondContact CB-OD1 3.47Å; L201-N224 WeakPolarHBondContact CG-OD1 3.47Å; L201-N224 PolarHBondContact N-OD1 2.94Å; L201-R225 CarbonylContact O-C 3.51Å; L201-R225 VanDerWaalsContact O-C 3.27Å; L201-R225 WeakPolarHBondContact O-CA 3.41Å; L201-R225 PolarHBondContact O-N 3.26Å; L201-I226 PolarHBondContact O-N 2.85Å
202	A	96.9	Very high	97.6	Very high	72 Å²	72	37.9 Å²	37.9	60%	0.595	22%	0.218	S	C	*	.	S	Bend	trans	-85.9	-14.8	177.3	0	0	0	0	0	113.4	S200	S200-A202 PolarHBondContact O-N 3.06Å
203	A	96.7	Very high	97.5	Very high	56 Å²	56	42.5 Å²	42.5	46%	0.463	23%	0.232	S	C	.	.	S	Bend	trans	-149.8	164.9	179.4	0	0	0	0	0	110.2
204	V	97.3	Very high	97.4	Very high	11 Å²	11	43.8 Å²	43.8	7%	0.067	24%	0.243	C	C	.	.			trans	-62.2	130.8	169.1	-178.8	0	0	0	0	108.3	T206 L209 L221 I226 L229 S233 L234	V204-T206 PolarHBondContact O-N 3.37Å; V204-T206 PolarHBondContact O-OG1 2.86Å; V204-L209 HydrophobicContact CG1-CD1 4.27Å; V204-L221 HydrophobicContact CB-CD1 4.49Å; V204-L221 HydrophobicContact CG1-CD1 4.08Å; V204-L221 HydrophobicContact CG2-CD1 4.06Å; V204-I226 HydrophobicContact CG2-CD1 4.28Å; V204-L229 HydrophobicContact CG2-CD2 3.47Å; V204-L229 VanDerWaalsContact CG2-CD2 3.47Å; V204-S233 WeakPolarHBondContact CG1-O 3.24Å; V204-L234 HydrophobicContact CG1-CD2 4.14Å; V204-L234 HydrophobicContact CG2-CD2 4.27Å
205	P	96.9	Very high	97.4	Very high	13 Å²	13	47.6 Å²	47.6	8%	0.084	26%	0.257	C	S	.	.			trans	-77.9	57.9	-179	32.8	-36.3	0	0	0	111.6	L180 L196 L201 P207 A208 L209	L180-P205 HydrophobicContact CB-CB 4.31Å; L180-P205 HydrophobicContact CD1-CB 4.11Å; L180-P205 HydrophobicContact CD1-CG 4.41Å; L196-P205 HydrophobicContact CD1-CG 4.05Å; L201-P205 HydrophobicContact CD1-CG 4.48Å; P205-P207 VanDerWaalsContact C-CD 3.46Å; P205-A208 HydrophobicContact CB-CB 4.3Å; P205-A208 PolarHBondContact O-N 3.33Å; P205-A208 VanDerWaalsContact O-N 3.12Å; P205-L209 HydrophobicContact CG-CD1 4.24Å; P205-L209 HydrophobicContact CG-CG 4.38Å; P205-L209 WeakPolarHBondContact O-CG 3.34Å; P205-L209 PolarHBondContact O-N 3.19Å
206	T	96.6	Very high	97.4	Very high	48 Å²	48	46 Å²	46	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-52.2	-44	-173.6	-48.2	0	0	0	0	113.6	V204 A208 L209 R210 G232 S233	V204-T206 PolarHBondContact O-N 3.37Å; V204-T206 PolarHBondContact O-OG1 2.86Å; T206-A208 PolarHBondContact O-N 3.23Å; T206-L209 PolarHBondContact O-N 2.97Å; T206-R210 PolarHBondContact O-N 2.91Å; T206-G232 WeakPolarHBondContact CG2-O 3.25Å; T206-S233 PolarHBondContact OG1-O 3.04Å
207	P	96.3	Very high	97.4	Very high	72 Å²	72	50.3 Å²	50.3	47%	0.468	27%	0.267	S	S	.	.	H	α-helix	trans	-58.5	-45.8	178.1	-24.4	35.6	0	0	0	112.6	E182 P205 L209 R210	E182-P207 HydrophobicContact CB-CB 4.09Å; E182-P207 HydrophobicContact CG-CB 3.98Å; P205-P207 VanDerWaalsContact C-CD 3.46Å; P207-L209 PolarHBondContact O-N 3.28Å; P207-R210 VanDerWaalsContact O-CB 3.3Å; P207-R210 WeakPolarHBondContact O-CB 3.26Å; P207-R210 PolarHBondContact O-N 3.08Å
208	A	97.5	Very high	97.4	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-26.6	179.8	0	0	0	0	0	113.6	L180 D181 E182 A184 F185 P205 T206	L180-A208 HydrophobicContact CB-CB 3.84Å; L180-A208 HydrophobicContact CD2-CB 4.38Å; D181-A208 VanDerWaalsContact O-CB 3.3Å; D181-A208 WeakPolarHBondContact O-CB 3.42Å; E182-A208 WeakPolarHBondContact O-CA 3.35Å; A184-A208 HydrophobicContact CB-CB 4.19Å; F185-A208 HydrophobicContact CD2-CB 4.34Å; F185-A208 HydrophobicContact CE2-CB 4.4Å; P205-A208 HydrophobicContact CB-CB 4.3Å; P205-A208 PolarHBondContact O-N 3.33Å; P205-A208 VanDerWaalsContact O-N 3.12Å; T206-A208 PolarHBondContact O-N 3.23Å
209	L	97.5	Very high	97.4	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-89.9	-11.6	-177.9	-59.3	176.8	0	0	0	113.2	F185 I194 V204 P205 T206 P207 E211 H212 R213 L216 L219 L236	F185-L209 HydrophobicContact CD2-CD2 4.45Å; F185-L209 HydrophobicContact CE2-CD2 4.21Å; I194-L209 HydrophobicContact CD1-CD2 3.59Å; V204-L209 HydrophobicContact CG1-CD1 4.27Å; P205-L209 HydrophobicContact CG-CD1 4.24Å; P205-L209 HydrophobicContact CG-CG 4.38Å; P205-L209 WeakPolarHBondContact O-CG 3.34Å; P205-L209 PolarHBondContact O-N 3.19Å; T206-L209 PolarHBondContact O-N 2.97Å; P207-L209 PolarHBondContact O-N 3.28Å; L209-E211 PolarHBondContact O-N 2.91Å; L209-H212 CarbonylContact O-C 3.5Å; L209-H212 WeakPolarHBondContact O-CA 3.34Å; L209-H212 PolarHBondContact O-N 3.11Å; L209-R213 PolarHBondContact O-N 3.36Å; L209-L216 HydrophobicContact CB-CD1 4.3Å; L209-L216 HydrophobicContact CD2-CD1 3.91Å; L209-L219 HydrophobicContact CD1-CD1 4.4Å; L209-L219 HydrophobicContact CD1-CD2 3.82Å; L209-L236 HydrophobicContact CB-CD2 4.49Å; L209-L236 HydrophobicContact CD1-CD1 4.47Å
210	R	96.1	Very high	97.4	Very high	171 Å²	171	48.3 Å²	48.3	65%	0.645	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-57.8	-42.9	-169.2	-174.6	176	174.5	-125.3	-3.1	114	E182 T206 P207 H212 R213	E182-R210 IonicContact OE1-NH1 3.38Å; T206-R210 PolarHBondContact O-N 2.91Å; P207-R210 VanDerWaalsContact O-CB 3.3Å; P207-R210 WeakPolarHBondContact O-CB 3.26Å; P207-R210 PolarHBondContact O-N 3.08Å; R210-H212 PolarHBondContact O-N 2.98Å; R210-R213 PolarHBondContact O-N 2.77Å
211	E	96.1	Very high	97.4	Very high	78 Å²	78	46.4 Å²	46.4	36%	0.364	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-65.5	-22.3	177.7	-66.5	-167.7	158.5	0	0	113.1	H186 L209 R215	H186-E211 WeakPolarHBondContact CA-OE2 3.29Å; H186-E211 IonicContact CE1-OE1 3.03Å; H186-E211 IonicContact CG-OE1 3.05Å; H186-E211 IonicContact CG-OE2 2.69Å; H186-E211 VanDerWaalsContact ND1-CD 3.31Å; H186-E211 IonicContact ND1-OE1 3.15Å; H186-E211 PolarHBondContact ND1-OE1 3.23Å; H186-E211 IonicContact ND1-OE2 2.88Å; H186-E211 PolarHBondContact ND1-OE2 3.04Å; L209-E211 PolarHBondContact O-N 2.91Å; E211-R215 PolarHBondContact O-NH2 2.76Å
212	H	97	Very high	97.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-104.6	5.1	-174.2	-56.3	86.7	0	0	0	112.5	F185 L188 L209 R210 T214 R215 L216	F185-H212 PolarHBondContact O-CE1 3.09Å; F185-H212 PolarHBondContact O-NE2 2.59Å; L188-H212 PolarHBondContact O-CD2 2.81Å; L188-H212 PolarHBondContact O-NE2 2.9Å; L188-H212 VanDerWaalsContact O-NE2 3.08Å; L209-H212 CarbonylContact O-C 3.5Å; L209-H212 WeakPolarHBondContact O-CA 3.34Å; L209-H212 PolarHBondContact O-N 3.11Å; R210-H212 PolarHBondContact O-N 2.98Å; H212-T214 PolarHBondContact O-N 2.88Å; H212-R215 PolarHBondContact O-N 2.96Å; H212-L216 HydrophobicContact CB-CD1 3.98Å; H212-L216 HydrophobicContact CB-CD2 4.49Å; H212-L216 HydrophobicContact CB-CG 3.86Å; H212-L216 PolarHBondContact O-N 3.23Å
213	R	96.5	Very high	97.5	Very high	116 Å²	116	44.6 Å²	44.6	44%	0.438	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-37.3	-172.3	80.8	179	-148.3	-74.7	-4.2	115.1	L209 R210 D235 L236 P237	L209-R213 PolarHBondContact O-N 3.36Å; R210-R213 PolarHBondContact O-N 2.77Å; R213-D235 WeakPolarHBondContact CB-O 3.09Å; R213-L236 HydrophobicContact CB-CD2 4.15Å; R213-P237 WeakPolarHBondContact O-CD 3.4Å
214	T	96.7	Very high	97.6	Very high	65 Å²	65	42.3 Å²	42.3	40%	0.399	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.4	-177.9	54.8	0	0	0	0	113.5	H212 N238	H212-T214 PolarHBondContact O-N 2.88Å; T214-N238 PolarHBondContact O-ND2 3.29Å
215	R	97.4	Very high	97.6	Very high	85 Å²	85	49.3 Å²	49.3	32%	0.321	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-29.2	-175.1	-69.5	176	-73	-159.8	-0.2	113.3	R189 L191 S192 E211 H212 K217	R189-R215 VanDerWaalsContact C-NH1 3.29Å; R189-R215 VanDerWaalsContact O-CD 3.3Å; R189-R215 WeakPolarHBondContact O-CD 3.28Å; R189-R215 PolarHBondContact O-NH1 3.34Å; L191-R215 WeakPolarHBondContact O-CB 3.42Å; S192-R215 WeakPolarHBondContact CB-O 3.43Å; E211-R215 PolarHBondContact O-NH2 2.76Å; H212-R215 PolarHBondContact O-N 2.96Å; R215-K217 PolarHBondContact O-N 3Å
216	L	98.6	Very high	97.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.228	C	C	.	.			trans	-62.3	126.3	178.7	-73.3	174.1	0	0	0	111	S192 I194 L209 H212 L236 N238 L239	S192-L216 WeakPolarHBondContact O-CA 3.29Å; I194-L216 HydrophobicContact CD1-CD1 4.17Å; I194-L216 HydrophobicContact CD1-CD2 3.71Å; I194-L216 HydrophobicContact CG1-CD2 3.84Å; L209-L216 HydrophobicContact CB-CD1 4.3Å; L209-L216 HydrophobicContact CD2-CD1 3.91Å; H212-L216 HydrophobicContact CB-CD1 3.98Å; H212-L216 HydrophobicContact CB-CD2 4.49Å; H212-L216 HydrophobicContact CB-CG 3.86Å; H212-L216 PolarHBondContact O-N 3.23Å; L216-L236 HydrophobicContact CB-CD2 4.44Å; L216-L236 HydrophobicContact CD1-CD1 4.43Å; L216-L236 HydrophobicContact CD1-CD2 3.89Å; L216-N238 CarbonylContact O-C 3.36Å; L216-N238 VanDerWaalsContact O-C 3.29Å; L216-L239 HydrophobicContact CB-CD1 4.21Å; L216-L239 WeakPolarHBondContact O-CA 3.48Å; L216-L239 PolarHBondContact O-N 3.45Å
217	K	98.8	Very high	97.6	Very high	91 Å²	91	47.8 Å²	47.8	40%	0.396	23%	0.227	S	C	.	.			trans	-111.1	-38.6	174.9	-69.1	-179.1	168.4	-119.8	0	111.2	S192 R215 L239 E240 S241	S192-K217 PolarHBondContact O-N 2.81Å; R215-K217 PolarHBondContact O-N 3Å; K217-L239 WeakPolarHBondContact O-CD1 3.47Å; K217-E240 IonicContact NZ-OE1 3.96Å; K217-E240 PolarHBondContact NZ-OE1 3.26Å; K217-E240 PolarHBondContact O-N 3.25Å; K217-S241 PolarHBondContact O-N 3.4Å
218	N	98.9	Very high	97.4	Very high	47 Å²	47	51.2 Å²	51.2	25%	0.251	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.2	-179.7	-59	-21.4	0	0	0	110.8	S192 E193 I194 S241	S192-N218 PolarHBondContact O-N 3.32Å; S192-N218 VanDerWaalsContact O-N 3.1Å; E193-N218 WeakPolarHBondContact CA-O 3.35Å; E193-N218 HydrophobicContact CB-CB 4.01Å; E193-N218 HydrophobicContact CG-CB 3.85Å; E193-N218 PolarHBondContact OE2-ND2 2.98Å; E193-N218 VanDerWaalsContact OE2-ND2 3.16Å; I194-N218 PolarHBondContact N-O 2.99Å; N218-S241 WeakPolarHBondContact CA-O 3.28Å; N218-S241 WeakPolarHBondContact OD1-CB 3.49Å
219	L	98.8	Very high	97.2	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	116.8	173.9	179.1	60	0	0	0	109.1	I194 L209 L221 L236 L239 S241 L242 S243	I194-L219 HydrophobicContact CB-CD1 4.16Å; I194-L219 HydrophobicContact CG2-CD1 4.21Å; I194-L219 WeakPolarHBondContact O-CA 3.32Å; L209-L219 HydrophobicContact CD1-CD1 4.4Å; L209-L219 HydrophobicContact CD1-CD2 3.82Å; L219-L221 HydrophobicContact CD1-CD1 4.43Å; L219-L221 HydrophobicContact CD1-CD2 4.47Å; L219-L221 HydrophobicContact CD1-CG 4.14Å; L219-L221 HydrophobicContact CD2-CD1 3.81Å; L219-L221 HydrophobicContact CD2-CG 4.38Å; L219-L221 HydrophobicContact CG-CD1 3.97Å; L219-L221 HydrophobicContact CG-CG 4.01Å; L219-L236 HydrophobicContact CD2-CD1 3.64Å; L219-L239 HydrophobicContact CB-CD1 3.84Å; L219-L239 HydrophobicContact CB-CD2 4.34Å; L219-S241 PolarHBondContact N-O 3.09Å; L219-L242 HydrophobicContact CB-CD1 4.27Å; L219-L242 HydrophobicContact CD2-CD1 4.24Å; L219-L242 HydrophobicContact CG-CD1 4.26Å; L219-L242 WeakPolarHBondContact O-CA 3.07Å; L219-S243 PolarHBondContact O-N 3.49Å
220	N	98.9	Very high	97	Very high	35 Å²	35	55 Å²	55	19%	0.187	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.2	174.1	-176.4	-2.8	0	0	0	109.6	I194 N195 L196 E197 G222	I194-N220 PolarHBondContact O-N 2.96Å; N195-N220 HydrophobicContact CB-CB 4.4Å; N195-N220 WeakPolarHBondContact OD1-CB 3.39Å; N195-N220 PolarHBondContact OD1-ND2 3.26Å; L196-N220 CarbonylContact C-O 3.57Å; L196-N220 WeakPolarHBondContact CA-O 3.23Å; L196-N220 PolarHBondContact N-O 2.86Å; E197-N220 PolarHBondContact OE2-ND2 3.22Å; N220-G222 PolarHBondContact OD1-N 2.92Å
221	L	98.7	Very high	96.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.263	C	S	.	.			trans	-121.5	18.9	177.3	-69.5	165.5	0	0	0	111.1	L196 L201 V204 L219 N224 I226 S243 L244 N247	L196-L221 HydrophobicContact CB-CD2 4.02Å; L196-L221 HydrophobicContact CD1-CD2 3.96Å; L201-L221 HydrophobicContact CD1-CD2 3.97Å; V204-L221 HydrophobicContact CB-CD1 4.49Å; V204-L221 HydrophobicContact CG1-CD1 4.08Å; V204-L221 HydrophobicContact CG2-CD1 4.06Å; L219-L221 HydrophobicContact CD1-CD1 4.43Å; L219-L221 HydrophobicContact CD1-CD2 4.47Å; L219-L221 HydrophobicContact CD1-CG 4.14Å; L219-L221 HydrophobicContact CD2-CD1 3.81Å; L219-L221 HydrophobicContact CD2-CG 4.38Å; L219-L221 HydrophobicContact CG-CD1 3.97Å; L219-L221 HydrophobicContact CG-CG 4.01Å; L221-N224 PolarHBondContact O-ND2 3.39Å; L221-I226 HydrophobicContact CB-CD1 4.04Å; L221-I226 HydrophobicContact CD1-CD1 4.24Å; L221-I226 HydrophobicContact CD2-CD1 4.45Å; L221-I226 HydrophobicContact CG-CD1 4.5Å; L221-S243 WeakPolarHBondContact CA-O 3.22Å; L221-S243 PolarHBondContact N-O 3.43Å; L221-L244 HydrophobicContact CB-CD2 3.98Å; L221-L244 HydrophobicContact CD1-CD2 4.09Å; L221-N247 PolarHBondContact O-ND2 2.78Å
222	G	98.7	Very high	96.7	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.01	27%	0.265	C	S	.	.			trans	-58.3	158.4	179.5	0	0	0	0	0	113	E197 A198 N220 N224 E245	E197-G222 CarbonylContact C-O 3.27Å; E197-G222 WeakPolarHBondContact CA-O 3.32Å; E197-G222 WeakPolarHBondContact CG-O 3.25Å; A198-G222 PolarHBondContact N-O 3.13Å; N220-G222 PolarHBondContact OD1-N 2.92Å; G222-N224 VanDerWaalsContact C-N 3.3Å; G222-N224 PolarHBondContact O-N 3.37Å; G222-N224 PolarHBondContact O-ND2 3.03Å; G222-E245 CarbonylContact C-O 3.4Å; G222-E245 WeakPolarHBondContact CA-O 3.17Å
223	A	98.5	Very high	96.6	Very high	36 Å²	36	53.2 Å²	53.2	30%	0.298	27%	0.27	S	S	.	.	S	Bend	trans	49	47	177	0	0	0	0	0	113.8	E197 A198 N199 E245 Y246	E197-A223 HydrophobicContact CG-CB 4.37Å; A198-A223 WeakPolarHBondContact CA-O 3.34Å; A198-A223 HydrophobicContact CB-CB 4.19Å; A198-A223 PolarHBondContact N-O 2.72Å; N199-A223 PolarHBondContact N-O 2.86Å; A223-E245 PolarHBondContact N-O 3.08Å; A223-Y246 WeakPolarHBondContact CA-O 3.48Å
224	N	98.6	Very high	96.5	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.048	25%	0.249	C	C	.	.	S	Bend	trans	-114	-161.5	173.2	-85	-78.8	0	0	0	109.9	L196 N199 S200 L201 L221 G222 I226 N247	L196-N224 PolarHBondContact O-ND2 3.47Å; N199-N224 WeakPolarHBondContact CA-OD1 3.26Å; N199-N224 WeakPolarHBondContact CB-OD1 3.3Å; S200-N224 PolarHBondContact N-OD1 3.02Å; L201-N224 HydrophobicContact CB-CB 4.3Å; L201-N224 WeakPolarHBondContact CB-OD1 3.47Å; L201-N224 WeakPolarHBondContact CG-OD1 3.47Å; L201-N224 PolarHBondContact N-OD1 2.94Å; L221-N224 PolarHBondContact O-ND2 3.39Å; G222-N224 VanDerWaalsContact C-N 3.3Å; G222-N224 PolarHBondContact O-N 3.37Å; G222-N224 PolarHBondContact O-ND2 3.03Å; N224-I226 HydrophobicContact CB-CD1 4.41Å; N224-I226 HydrophobicContact CB-CG1 4.2Å; N224-N247 WeakPolarHBondContact CA-OD1 3.41Å; N224-N247 WeakPolarHBondContact CB-OD1 3.48Å; N224-N247 PolarHBondContact N-OD1 3.45Å; N224-N247 PolarHBondContact O-OD1 3.29Å
225	R	97.5	Very high	96.5	Very high	158 Å²	158	48.6 Å²	48.6	60%	0.596	25%	0.252	S	S	*	.			trans	-118.1	29.1	179.9	-56.5	-177.5	-174.9	-167.3	0.7	111.7	L201 G227 N247	L201-R225 CarbonylContact O-C 3.51Å; L201-R225 VanDerWaalsContact O-C 3.27Å; L201-R225 WeakPolarHBondContact O-CA 3.41Å; L201-R225 PolarHBondContact O-N 3.26Å; R225-G227 PolarHBondContact O-N 3.46Å; R225-N247 PolarHBondContact N-OD1 3.21Å
226	I	97.8	Very high	96.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.			trans	-73.2	121.6	-177.4	-57.8	173.9	0	0	0	108.7	L201 V204 L221 N224 L229 L244 N247 I248 I249	L201-I226 PolarHBondContact O-N 2.85Å; V204-I226 HydrophobicContact CG2-CD1 4.28Å; L221-I226 HydrophobicContact CB-CD1 4.04Å; L221-I226 HydrophobicContact CD1-CD1 4.24Å; L221-I226 HydrophobicContact CD2-CD1 4.45Å; L221-I226 HydrophobicContact CG-CD1 4.5Å; N224-I226 HydrophobicContact CB-CD1 4.41Å; N224-I226 HydrophobicContact CB-CG1 4.2Å; I226-L229 HydrophobicContact CG2-CD2 3.95Å; I226-L229 HydrophobicContact CG2-CG 4.39Å; I226-L244 HydrophobicContact CD1-CD2 4.16Å; I226-N247 HydrophobicContact CB-CB 4.33Å; I226-N247 VanDerWaalsContact CB-OD1 3.29Å; I226-N247 WeakPolarHBondContact CB-OD1 3.5Å; I226-N247 WeakPolarHBondContact CG1-OD1 3.33Å; I226-N247 PolarHBondContact N-OD1 2.81Å; I226-N247 WeakPolarHBondContact O-CB 3.34Å; I226-I248 CarbonylContact O-C 3.36Å; I226-I248 VanDerWaalsContact O-CG1 3.29Å; I226-I248 WeakPolarHBondContact O-CG1 3.34Å; I226-I248 PolarHBondContact O-N 3.2Å; I226-I249 HydrophobicContact CG2-CG1 4.47Å; I226-I249 WeakPolarHBondContact O-CG1 3.15Å; I226-I249 PolarHBondContact O-N 2.88Å
227	G	95.4	Very high	96.5	Very high	28 Å²	28	46.6 Å²	46.6	29%	0.289	25%	0.25	S	C	.	.			trans	-117	-34	-178.9	0	0	0	0	0	115.5	R225	R225-G227 PolarHBondContact O-N 3.46Å
228	M	90.6	Very high	96.4	Very high	145 Å²	145	45.7 Å²	45.7	71%	0.714	25%	0.249	S	C	*	.			trans	-120.9	125.3	-179.3	-172.4	175.8	65.2	0	0	109.6	T230	M228-T230 HydrophobicContact CE-CG2 4.07Å; M228-T230 HydrophobicContact CG-CG2 4.07Å; M228-T230 HydrophobicContact SD-CG2 4.21Å
229	L	94.9	Very high	96.4	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.084	24%	0.237	C	C	.	.			trans	-110.6	129.8	168.8	-65.2	171	0	0	0	108.3	V204 I226 L244 I249 L252 V256	V204-L229 HydrophobicContact CG2-CD2 3.47Å; V204-L229 VanDerWaalsContact CG2-CD2 3.47Å; I226-L229 HydrophobicContact CG2-CD2 3.95Å; I226-L229 HydrophobicContact CG2-CG 4.39Å; L229-L244 HydrophobicContact CD1-CD1 3.9Å; L229-I249 HydrophobicContact CD1-CD1 3.75Å; L229-I249 HydrophobicContact CD1-CG1 4.44Å; L229-I249 HydrophobicContact CG-CD1 4.39Å; L229-L252 HydrophobicContact CD1-CD1 4.46Å; L229-V256 HydrophobicContact CB-CB 4.48Å; L229-V256 HydrophobicContact CB-CG1 3.66Å; L229-V256 HydrophobicContact CB-CG2 3.95Å; L229-V256 HydrophobicContact CD1-CG1 4.09Å; L229-V256 HydrophobicContact CG-CG1 4.41Å; L229-V256 WeakPolarHBondContact O-CG2 3.47Å
230	T	92.6	Very high	96.4	Very high	70 Å²	70	46.4 Å²	46.4	43%	0.429	25%	0.251	S	S	.	.			trans	-118.5	165.3	178.5	59.9	0	0	0	0	110.6	M228 G232 S233	M228-T230 HydrophobicContact CE-CG2 4.07Å; M228-T230 HydrophobicContact CG-CG2 4.07Å; M228-T230 HydrophobicContact SD-CG2 4.21Å; T230-G232 PolarHBondContact O-N 3.33Å; T230-S233 PolarHBondContact N-OG 3.23Å; T230-S233 WeakPolarHBondContact O-CB 3.4Å; T230-S233 PolarHBondContact O-N 2.89Å; T230-S233 PolarHBondContact O-OG 2.69Å; T230-S233 PolarHBondContact OG1-OG 2.99Å; T230-S233 VanDerWaalsContact OG1-OG 3.08Å
231	K	93.8	Very high	96.4	Very high	155 Å²	155	46 Å²	46	67%	0.674	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	128.1	173.2	-176.2	175.3	-177	167.4	0	110.8	S233 D255	K231-S233 VanDerWaalsContact C-N 3.32Å; K231-D255 HydrophobicContact CB-CB 4.21Å; K231-D255 HydrophobicContact CD-CB 4.24Å; K231-D255 HydrophobicContact CG-CB 4.27Å
232	G	92.6	Very high	96.4	Very high	39 Å²	39	46 Å²	46	40%	0.402	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-5.3	-177	0	0	0	0	0	114.9	T206 T230 L234	T206-G232 WeakPolarHBondContact CG2-O 3.25Å; T230-G232 PolarHBondContact O-N 3.33Å; G232-L234 PolarHBondContact O-N 3.11Å
233	S	94.5	Very high	96.4	Very high	17 Å²	17	46.3 Å²	46.3	12%	0.119	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-35.1	171.2	-65.6	0	0	0	0	111.6	V204 T206 T230 K231	V204-S233 WeakPolarHBondContact CG1-O 3.24Å; T206-S233 PolarHBondContact OG1-O 3.04Å; T230-S233 PolarHBondContact N-OG 3.23Å; T230-S233 WeakPolarHBondContact O-CB 3.4Å; T230-S233 PolarHBondContact O-N 2.89Å; T230-S233 PolarHBondContact O-OG 2.69Å; T230-S233 PolarHBondContact OG1-OG 2.99Å; T230-S233 VanDerWaalsContact OG1-OG 3.08Å; K231-S233 VanDerWaalsContact C-N 3.32Å
234	L	95.3	Very high	96.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	68.9	179.9	-65.7	167.4	0	0	0	110.8	V204 G232 L236 L242 V256 L257 G259 T260	V204-L234 HydrophobicContact CG1-CD2 4.14Å; V204-L234 HydrophobicContact CG2-CD2 4.27Å; G232-L234 PolarHBondContact O-N 3.11Å; L234-L236 PolarHBondContact O-N 3.08Å; L234-L242 HydrophobicContact CD1-CD2 3.62Å; L234-L242 HydrophobicContact CD2-CD1 4.28Å; L234-L242 HydrophobicContact CD2-CD2 4.11Å; L234-V256 HydrophobicContact CD1-CG1 4.04Å; L234-L257 HydrophobicContact CD1-CD2 4.09Å; L234-G259 CarbonylContact O-C 3.5Å; L234-G259 VanDerWaalsContact O-C 3.23Å; L234-G259 WeakPolarHBondContact O-CA 3.48Å; L234-T260 HydrophobicContact CB-CG2 3.99Å
235	D	96	Very high	96.4	Very high	85 Å²	85	46.5 Å²	46.5	46%	0.455	25%	0.247	S	C	.	.			trans	-91.5	72	173.1	-175.7	30	0	0	0	110.8	R213	R213-D235 WeakPolarHBondContact CB-O 3.09Å
236	L	97.8	Very high	96.5	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.031	24%	0.24	C	C	.	.			trans	-131.8	77.7	-173.8	-60.5	173.5	0	0	0	109.6	L209 R213 L216 L219 L234 N238 L239 G259 T260	L209-L236 HydrophobicContact CB-CD2 4.49Å; L209-L236 HydrophobicContact CD1-CD1 4.47Å; R213-L236 HydrophobicContact CB-CD2 4.15Å; L216-L236 HydrophobicContact CB-CD2 4.44Å; L216-L236 HydrophobicContact CD1-CD1 4.43Å; L216-L236 HydrophobicContact CD1-CD2 3.89Å; L219-L236 HydrophobicContact CD2-CD1 3.64Å; L234-L236 PolarHBondContact O-N 3.08Å; L236-N238 PolarHBondContact O-N 3.28Å; L236-N238 VanDerWaalsContact O-N 3.07Å; L236-L239 HydrophobicContact CB-CB 3.89Å; L236-L239 HydrophobicContact CB-CD2 4.37Å; L236-L239 HydrophobicContact CD1-CD1 4.22Å; L236-L239 HydrophobicContact CD1-CD2 4.08Å; L236-L239 VanDerWaalsContact O-CB 3.26Å; L236-L239 WeakPolarHBondContact O-CB 3.26Å; L236-L239 PolarHBondContact O-N 3.22Å; L236-G259 CarbonylContact C-O 3.51Å; L236-G259 PolarHBondContact N-O 3.35Å; L236-T260 HydrophobicContact CB-CG2 4.12Å
237	P	97.5	Very high	96.5	Very high	37 Å²	37	44.6 Å²	44.6	24%	0.24	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.8	-166	21.3	-34.9	0	0	0	115.2	R213 G259 N262	R213-P237 WeakPolarHBondContact O-CD 3.4Å; P237-G259 WeakPolarHBondContact CA-O 3.38Å; P237-N262 PolarHBondContact O-ND2 3.38Å
238	N	98.2	Very high	96.6	Very high	72 Å²	72	47.7 Å²	47.7	39%	0.385	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	10.3	-179.4	-66.8	-29.3	0	0	0	113.1	T214 L216 L236 E240	T214-N238 PolarHBondContact O-ND2 3.29Å; L216-N238 CarbonylContact O-C 3.36Å; L216-N238 VanDerWaalsContact O-C 3.29Å; L236-N238 PolarHBondContact O-N 3.28Å; L236-N238 VanDerWaalsContact O-N 3.07Å; N238-E240 PolarHBondContact O-N 2.9Å
239	L	98.6	Very high	96.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.			trans	-67.5	126.2	178.6	-161	74.7	0	0	0	110.1	L216 K217 L219 L236 L242 T260 N262 L263	L216-L239 HydrophobicContact CB-CD1 4.21Å; L216-L239 WeakPolarHBondContact O-CA 3.48Å; L216-L239 PolarHBondContact O-N 3.45Å; K217-L239 WeakPolarHBondContact O-CD1 3.47Å; L219-L239 HydrophobicContact CB-CD1 3.84Å; L219-L239 HydrophobicContact CB-CD2 4.34Å; L236-L239 HydrophobicContact CB-CB 3.89Å; L236-L239 HydrophobicContact CB-CD2 4.37Å; L236-L239 HydrophobicContact CD1-CD1 4.22Å; L236-L239 HydrophobicContact CD1-CD2 4.08Å; L236-L239 VanDerWaalsContact O-CB 3.26Å; L236-L239 WeakPolarHBondContact O-CB 3.26Å; L236-L239 PolarHBondContact O-N 3.22Å; L239-L242 HydrophobicContact CD2-CB 3.87Å; L239-L242 HydrophobicContact CD2-CD1 4.22Å; L239-L242 HydrophobicContact CD2-CD2 4.45Å; L239-L242 HydrophobicContact CD2-CG 4.4Å; L239-T260 HydrophobicContact CB-CG2 4.19Å; L239-T260 HydrophobicContact CD2-CG2 3.96Å; L239-N262 CarbonylContact O-C 3.54Å; L239-N262 VanDerWaalsContact O-C 3.28Å; L239-L263 HydrophobicContact CB-CD1 4.47Å; L239-L263 HydrophobicContact CD2-CD1 4.1Å; L239-L263 HydrophobicContact CG-CD1 4.19Å; L239-L263 WeakPolarHBondContact O-CA 3.44Å; L239-L263 PolarHBondContact O-N 3.08Å
240	E	98.8	Very high	96.9	Very high	66 Å²	66	43.5 Å²	43.5	31%	0.308	24%	0.236	S	C	.	.			trans	-101.7	-34.6	179.8	-64.5	175.2	-158.9	0	0	111	K217 N238 L264 Y265	K217-E240 IonicContact NZ-OE1 3.96Å; K217-E240 PolarHBondContact NZ-OE1 3.26Å; K217-E240 PolarHBondContact O-N 3.25Å; N238-E240 PolarHBondContact O-N 2.9Å; E240-L264 HydrophobicContact CB-CD1 4.41Å; E240-L264 WeakPolarHBondContact O-CA 3.48Å; E240-L264 WeakPolarHBondContact O-CB 3.36Å; E240-L264 PolarHBondContact O-N 2.96Å; E240-Y265 PolarHBondContact O-N 2.84Å
241	S	98.9	Very high	96.9	Very high	25 Å²	25	44.3 Å²	44.3	18%	0.175	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.2	-178.8	-173.5	0	0	0	0	112.2	K217 N218 L219 Y265	K217-S241 PolarHBondContact O-N 3.4Å; N218-S241 WeakPolarHBondContact CA-O 3.28Å; N218-S241 WeakPolarHBondContact OD1-CB 3.49Å; L219-S241 PolarHBondContact N-O 3.09Å; S241-Y265 WeakPolarHBondContact CA-O 3.28Å
242	L	98.8	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.1	176.7	177.9	60.3	0	0	0	110.2	L219 L234 L239 L244 L257 L263 Y265 L266 Y267	L219-L242 HydrophobicContact CB-CD1 4.27Å; L219-L242 HydrophobicContact CD2-CD1 4.24Å; L219-L242 HydrophobicContact CG-CD1 4.26Å; L219-L242 WeakPolarHBondContact O-CA 3.07Å; L234-L242 HydrophobicContact CD1-CD2 3.62Å; L234-L242 HydrophobicContact CD2-CD1 4.28Å; L234-L242 HydrophobicContact CD2-CD2 4.11Å; L239-L242 HydrophobicContact CD2-CB 3.87Å; L239-L242 HydrophobicContact CD2-CD1 4.22Å; L239-L242 HydrophobicContact CD2-CD2 4.45Å; L239-L242 HydrophobicContact CD2-CG 4.4Å; L242-L244 HydrophobicContact CD1-CD1 4.48Å; L242-L244 HydrophobicContact CD1-CG 4.16Å; L242-L244 HydrophobicContact CD2-CD1 3.87Å; L242-L244 HydrophobicContact CD2-CG 4.4Å; L242-L244 HydrophobicContact CG-CD1 4.13Å; L242-L244 HydrophobicContact CG-CG 4.14Å; L242-L257 HydrophobicContact CD2-CD2 4.47Å; L242-L263 HydrophobicContact CB-CD1 3.74Å; L242-L263 HydrophobicContact CB-CD2 4.25Å; L242-Y265 PolarHBondContact N-O 3.04Å; L242-L266 HydrophobicContact CB-CD1 4.39Å; L242-L266 HydrophobicContact CD2-CD1 4.2Å; L242-L266 HydrophobicContact CG-CD1 4.36Å; L242-Y267 PolarHBondContact O-N 3.18Å
243	S	98.8	Very high	96.8	Very high	8 Å²	8	38 Å²	38	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130	165.7	178.3	0	0	0	0	110.7	L219 L221 E245	L219-S243 PolarHBondContact O-N 3.49Å; L221-S243 WeakPolarHBondContact CA-O 3.22Å; L221-S243 PolarHBondContact N-O 3.43Å; S243-E245 WeakPolarHBondContact OG-CG 3.34Å; S243-E245 PolarHBondContact OG-N 3.13Å; S243-E245 PolarHBondContact OG-OE2 2.7Å
244	L	98.4	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.			trans	-128.8	22.3	173.6	-73.3	164.4	0	0	0	110.1	L221 I226 L229 L242 N247 I249 Y267 L268 N271	L221-L244 HydrophobicContact CB-CD2 3.98Å; L221-L244 HydrophobicContact CD1-CD2 4.09Å; I226-L244 HydrophobicContact CD1-CD2 4.16Å; L229-L244 HydrophobicContact CD1-CD1 3.9Å; L242-L244 HydrophobicContact CD1-CD1 4.48Å; L242-L244 HydrophobicContact CD1-CG 4.16Å; L242-L244 HydrophobicContact CD2-CD1 3.87Å; L242-L244 HydrophobicContact CD2-CG 4.4Å; L242-L244 HydrophobicContact CG-CD1 4.13Å; L242-L244 HydrophobicContact CG-CG 4.14Å; L244-N247 PolarHBondContact O-ND2 3.03Å; L244-I249 HydrophobicContact CB-CD1 4.06Å; L244-I249 HydrophobicContact CD1-CD1 4.24Å; L244-I249 HydrophobicContact CD2-CD1 4.39Å; L244-I249 HydrophobicContact CG-CD1 4.48Å; L244-Y267 PolarHBondContact N-O 3.15Å; L244-L268 HydrophobicContact CB-CD2 4.06Å; L244-L268 HydrophobicContact CD1-CD2 4.19Å; L244-N271 PolarHBondContact O-ND2 3.45Å
245	E	98.3	Very high	96.4	Very high	49 Å²	49	42 Å²	42	23%	0.229	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	154.1	-176.4	-64.8	174.4	110.3	0	0	112.2	G222 A223 S243 N247 Y267 T269	G222-E245 CarbonylContact C-O 3.4Å; G222-E245 WeakPolarHBondContact CA-O 3.17Å; A223-E245 PolarHBondContact N-O 3.08Å; S243-E245 WeakPolarHBondContact OG-CG 3.34Å; S243-E245 PolarHBondContact OG-N 3.13Å; S243-E245 PolarHBondContact OG-OE2 2.7Å; E245-N247 PolarHBondContact O-N 3.16Å; E245-N247 VanDerWaalsContact O-N 3.08Å; E245-N247 PolarHBondContact O-ND2 2.71Å; E245-Y267 VanDerWaalsContact CD-CB 3.48Å; E245-T269 CarbonylContact C-O 3.54Å; E245-T269 WeakPolarHBondContact CA-O 3.12Å; E245-T269 WeakPolarHBondContact CB-O 3.26Å; E245-T269 WeakPolarHBondContact OE1-CB 3.21Å
246	Y	98.3	Very high	96.4	Very high	115 Å²	115	38 Å²	38	45%	0.451	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	41.5	176.4	-57	-75.6	0	0	0	114.2	A223 T269 E294	A223-Y246 WeakPolarHBondContact CA-O 3.48Å; Y246-T269 PolarHBondContact N-O 2.8Å; Y246-E294 PolarHBondContact OH-OE1 2.96Å
247	N	98.4	Very high	96.3	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	21%	0.213	C	C	.	.	S	Bend	trans	-101.2	-165.6	168.7	-83.9	-79.3	0	0	0	109.5	L221 N224 R225 I226 L244 E245 I249 N271	L221-N247 PolarHBondContact O-ND2 2.78Å; N224-N247 WeakPolarHBondContact CA-OD1 3.41Å; N224-N247 WeakPolarHBondContact CB-OD1 3.48Å; N224-N247 PolarHBondContact N-OD1 3.45Å; N224-N247 PolarHBondContact O-OD1 3.29Å; R225-N247 PolarHBondContact N-OD1 3.21Å; I226-N247 HydrophobicContact CB-CB 4.33Å; I226-N247 VanDerWaalsContact CB-OD1 3.29Å; I226-N247 WeakPolarHBondContact CB-OD1 3.5Å; I226-N247 WeakPolarHBondContact CG1-OD1 3.33Å; I226-N247 PolarHBondContact N-OD1 2.81Å; I226-N247 WeakPolarHBondContact O-CB 3.34Å; L244-N247 PolarHBondContact O-ND2 3.03Å; E245-N247 PolarHBondContact O-N 3.16Å; E245-N247 VanDerWaalsContact O-N 3.08Å; E245-N247 PolarHBondContact O-ND2 2.71Å; N247-I249 HydrophobicContact CB-CD1 4.28Å; N247-I249 HydrophobicContact CB-CG1 4.24Å; N247-N271 WeakPolarHBondContact CA-OD1 3.46Å; N247-N271 VanDerWaalsContact CB-OD1 3.22Å; N247-N271 WeakPolarHBondContact CB-OD1 3.43Å; N247-N271 PolarHBondContact O-OD1 3.23Å
248	I	97.2	Very high	96.2	Very high	92 Å²	92	37.9 Å²	37.9	47%	0.472	22%	0.217	S	C	.	.			trans	-117.5	30.8	-179.3	56.5	166.6	0	0	0	111.8	I226 S250 N271	I226-I248 CarbonylContact O-C 3.36Å; I226-I248 VanDerWaalsContact O-CG1 3.29Å; I226-I248 WeakPolarHBondContact O-CG1 3.34Å; I226-I248 PolarHBondContact O-N 3.2Å; I248-S250 PolarHBondContact O-N 3.47Å; I248-N271 PolarHBondContact N-OD1 2.74Å
249	I	96.9	Very high	96.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.207	C	C	.	.			trans	-73.3	122.3	-178.9	-57.2	164.8	0	0	0	109.4	I226 L229 L244 N247 S251 N271 K272 F273	I226-I249 HydrophobicContact CG2-CG1 4.47Å; I226-I249 WeakPolarHBondContact O-CG1 3.15Å; I226-I249 PolarHBondContact O-N 2.88Å; L229-I249 HydrophobicContact CD1-CD1 3.75Å; L229-I249 HydrophobicContact CD1-CG1 4.44Å; L229-I249 HydrophobicContact CG-CD1 4.39Å; L244-I249 HydrophobicContact CB-CD1 4.06Å; L244-I249 HydrophobicContact CD1-CD1 4.24Å; L244-I249 HydrophobicContact CD2-CD1 4.39Å; L244-I249 HydrophobicContact CG-CD1 4.48Å; N247-I249 HydrophobicContact CB-CD1 4.28Å; N247-I249 HydrophobicContact CB-CG1 4.24Å; I249-S251 VanDerWaalsContact CG2-O 3.23Å; I249-S251 WeakPolarHBondContact CG2-O 3.3Å; I249-N271 HydrophobicContact CB-CB 4.3Å; I249-N271 VanDerWaalsContact CB-OD1 3.27Å; I249-N271 WeakPolarHBondContact CB-OD1 3Å; I249-N271 WeakPolarHBondContact CG1-OD1 3.14Å; I249-N271 PolarHBondContact N-OD1 3.31Å; I249-K272 CarbonylContact O-C 3.27Å; I249-K272 WeakPolarHBondContact O-CA 3.4Å; I249-K272 PolarHBondContact O-N 2.82Å; I249-F273 HydrophobicContact CB-CE2 4.39Å; I249-F273 HydrophobicContact CG2-CE2 4.1Å; I249-F273 HydrophobicContact CG2-CZ 3.94Å
250	S	94.6	Very high	96.1	Very high	73 Å²	73	35.2 Å²	35.2	51%	0.51	21%	0.207	S	C	.	.			trans	-94.1	-23.3	179.2	-53.1	0	0	0	0	114.2	I248	I248-S250 PolarHBondContact O-N 3.47Å
251	S	93.3	Very high	96	Very high	87 Å²	87	34.5 Å²	34.5	61%	0.608	21%	0.207	S	C	*	.			trans	-159.3	161.4	178.7	61.8	0	0	0	0	110.1	I249	I249-S251 VanDerWaalsContact CG2-O 3.23Å; I249-S251 WeakPolarHBondContact CG2-O 3.3Å
252	L	93.2	Very high	95.9	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.026	22%	0.217	C	C	.	.			trans	-127	112.6	175	-172.1	146.1	0	0	0	108.6	L229 V256 L257 F273 M280	L229-L252 HydrophobicContact CD1-CD1 4.46Å; L252-V256 HydrophobicContact CD1-CG1 4.41Å; L252-V256 HydrophobicContact CD2-CB 4.32Å; L252-V256 HydrophobicContact CG-CB 4.23Å; L252-V256 HydrophobicContact CG-CG1 4.31Å; L252-L257 HydrophobicContact CD1-CD1 4.09Å; L252-L257 HydrophobicContact CD1-CD2 4.41Å; L252-L257 HydrophobicContact CD1-CG 4.11Å; L252-L257 HydrophobicContact CD2-CD1 3.78Å; L252-L257 HydrophobicContact CD2-CG 3.86Å; L252-F273 HydrophobicContact CB-CE1 4.07Å; L252-F273 HydrophobicContact CB-CZ 4.13Å; L252-M280 HydrophobicContact CB-CB 4.32Å; L252-M280 HydrophobicContact CD2-CB 3.81Å; L252-M280 VanDerWaalsContact CD2-O 3.3Å; L252-M280 WeakPolarHBondContact CD2-O 3.33Å; L252-M280 WeakPolarHBondContact O-CB 3.28Å
253	S	91.8	Very high	95.9	Very high	57 Å²	57	36.7 Å²	36.7	40%	0.399	22%	0.217	S	C	.	.			trans	-66.3	141.1	171.7	159.2	0	0	0	0	109.8	D255 V256	S253-D255 PolarHBondContact O-N 2.93Å; S253-D255 VanDerWaalsContact O-N 3.09Å; S253-D255 PolarHBondContact OG-N 2.98Å; S253-V256 VanDerWaalsContact O-CB 3.3Å; S253-V256 WeakPolarHBondContact O-CB 3.39Å; S253-V256 WeakPolarHBondContact O-CG2 3.28Å; S253-V256 PolarHBondContact O-N 2.62Å
254	P	88	Confident	95.9	Very high	28 Å²	28	37.8 Å²	37.8	18%	0.182	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-51.2	-36.9	178.1	-27.4	35.4	0	0	0	113.3	V256 D279 R282 H283	P254-V256 PolarHBondContact O-N 3.43Å; P254-D279 HydrophobicContact CB-CB 4.46Å; P254-D279 VanDerWaalsContact CB-O 3.29Å; P254-D279 WeakPolarHBondContact CB-O 3.25Å; P254-D279 HydrophobicContact CG-CB 3.65Å; P254-D279 WeakPolarHBondContact CG-O 3.21Å; P254-R282 HydrophobicContact CB-CB 4.34Å; P254-H283 PolarHBondContact O-CD2 3.46Å; P254-H283 VanDerWaalsContact O-CD2 3.3Å
255	D	93.3	Very high	95.9	Very high	74 Å²	74	40.7 Å²	40.7	40%	0.396	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-68.3	-16.2	-177.7	-74	-23.5	0	0	0	114	K231 S253 A258	K231-D255 HydrophobicContact CB-CB 4.21Å; K231-D255 HydrophobicContact CD-CB 4.24Å; K231-D255 HydrophobicContact CG-CB 4.27Å; S253-D255 PolarHBondContact O-N 2.93Å; S253-D255 VanDerWaalsContact O-N 3.09Å; S253-D255 PolarHBondContact OG-N 2.98Å; D255-A258 WeakPolarHBondContact O-CB 3.44Å; D255-A258 PolarHBondContact O-N 3.27Å
256	V	95	Very high	95.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-66.2	-44.1	-179.6	169.5	0	0	0	0	111.1	L229 L234 L252 S253 P254 A258	L229-V256 HydrophobicContact CB-CB 4.48Å; L229-V256 HydrophobicContact CB-CG1 3.66Å; L229-V256 HydrophobicContact CB-CG2 3.95Å; L229-V256 HydrophobicContact CD1-CG1 4.09Å; L229-V256 HydrophobicContact CG-CG1 4.41Å; L229-V256 WeakPolarHBondContact O-CG2 3.47Å; L234-V256 HydrophobicContact CD1-CG1 4.04Å; L252-V256 HydrophobicContact CD1-CG1 4.41Å; L252-V256 HydrophobicContact CD2-CB 4.32Å; L252-V256 HydrophobicContact CG-CB 4.23Å; L252-V256 HydrophobicContact CG-CG1 4.31Å; S253-V256 VanDerWaalsContact O-CB 3.3Å; S253-V256 WeakPolarHBondContact O-CB 3.39Å; S253-V256 WeakPolarHBondContact O-CG2 3.28Å; S253-V256 PolarHBondContact O-N 2.62Å; P254-V256 PolarHBondContact O-N 3.43Å; V256-A258 VanDerWaalsContact C-N 3.29Å; V256-A258 PolarHBondContact O-N 3.04Å
257	L	96.5	Very high	95.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-86.9	2.5	-178.9	-64.8	176.8	0	0	0	113	L234 L242 L252 G259 T260 L266 L281 V284	L234-L257 HydrophobicContact CD1-CD2 4.09Å; L242-L257 HydrophobicContact CD2-CD2 4.47Å; L252-L257 HydrophobicContact CD1-CD1 4.09Å; L252-L257 HydrophobicContact CD1-CD2 4.41Å; L252-L257 HydrophobicContact CD1-CG 4.11Å; L252-L257 HydrophobicContact CD2-CD1 3.78Å; L252-L257 HydrophobicContact CD2-CG 3.86Å; L257-G259 PolarHBondContact O-N 2.79Å; L257-T260 PolarHBondContact O-N 3.45Å; L257-T260 PolarHBondContact O-OG1 3.21Å; L257-L266 HydrophobicContact CD1-CD2 3.98Å; L257-L281 HydrophobicContact CD1-CD2 4.3Å; L257-V284 HydrophobicContact CB-CG1 3.94Å; L257-V284 HydrophobicContact CD1-CG1 4.2Å; L257-V284 HydrophobicContact CD1-CG2 4.16Å
258	A	96	Very high	95.9	Very high	39 Å²	39	36.1 Å²	36.1	32%	0.322	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-61.5	-26.4	177.3	0	0	0	0	0	113.1	D255 V256 H283	D255-A258 WeakPolarHBondContact O-CB 3.44Å; D255-A258 PolarHBondContact O-N 3.27Å; V256-A258 VanDerWaalsContact C-N 3.29Å; V256-A258 PolarHBondContact O-N 3.04Å; A258-H283 HydrophobicContact CB-CB 4.42Å
259	G	95.9	Very high	96	Very high	17 Å²	17	32.3 Å²	32.3	18%	0.175	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-85.9	-2.6	176.2	0	0	0	0	0	115.1	L234 L236 P237 L257	L234-G259 CarbonylContact O-C 3.5Å; L234-G259 VanDerWaalsContact O-C 3.23Å; L234-G259 WeakPolarHBondContact O-CA 3.48Å; L236-G259 CarbonylContact C-O 3.51Å; L236-G259 PolarHBondContact N-O 3.35Å; P237-G259 WeakPolarHBondContact CA-O 3.38Å; L257-G259 PolarHBondContact O-N 2.79Å
260	T	97.2	Very high	96	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.2	C	C	.	.			trans	-125.5	55.4	178.2	56.2	0	0	0	0	112.1	L234 L236 L239 L257 N262 L263 V284	L234-T260 HydrophobicContact CB-CG2 3.99Å; L236-T260 HydrophobicContact CB-CG2 4.12Å; L239-T260 HydrophobicContact CB-CG2 4.19Å; L239-T260 HydrophobicContact CD2-CG2 3.96Å; L257-T260 PolarHBondContact O-N 3.45Å; L257-T260 PolarHBondContact O-OG1 3.21Å; T260-N262 PolarHBondContact O-N 3.46Å; T260-L263 WeakPolarHBondContact O-CB 3.31Å; T260-L263 PolarHBondContact O-N 2.95Å; T260-V284 WeakPolarHBondContact O-CG1 3.37Å
261	P	96.7	Very high	96.2	Very high	50 Å²	50	29.5 Å²	29.5	33%	0.325	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-20.1	-172.4	28.6	-37.3	0	0	0	114.7	L263 H283	P261-L263 VanDerWaalsContact C-N 3.34Å; P261-H283 WeakPolarHBondContact CA-O 3.34Å
262	N	97.8	Very high	96.3	Very high	71 Å²	71	31.2 Å²	31.2	38%	0.38	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	12.3	-178.1	-68.8	-42.9	0	0	0	113.7	P237 L239 T260 L264	P237-N262 PolarHBondContact O-ND2 3.38Å; L239-N262 CarbonylContact O-C 3.54Å; L239-N262 VanDerWaalsContact O-C 3.28Å; T260-N262 PolarHBondContact O-N 3.46Å; N262-L264 PolarHBondContact O-N 3.41Å
263	L	98.4	Very high	96.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.			trans	-63.2	131	-177.8	-159	71.4	0	0	0	111.3	L239 L242 T260 P261 L266 V284 N286 L287	L239-L263 HydrophobicContact CB-CD1 4.47Å; L239-L263 HydrophobicContact CD2-CD1 4.1Å; L239-L263 HydrophobicContact CG-CD1 4.19Å; L239-L263 WeakPolarHBondContact O-CA 3.44Å; L239-L263 PolarHBondContact O-N 3.08Å; L242-L263 HydrophobicContact CB-CD1 3.74Å; L242-L263 HydrophobicContact CB-CD2 4.25Å; T260-L263 WeakPolarHBondContact O-CB 3.31Å; T260-L263 PolarHBondContact O-N 2.95Å; P261-L263 VanDerWaalsContact C-N 3.34Å; L263-L266 HydrophobicContact CD2-CB 3.82Å; L263-L266 HydrophobicContact CD2-CD1 3.97Å; L263-L266 HydrophobicContact CD2-CD2 4.36Å; L263-L266 HydrophobicContact CD2-CG 4.26Å; L263-V284 HydrophobicContact CB-CB 4.46Å; L263-V284 HydrophobicContact CB-CG1 3.91Å; L263-V284 HydrophobicContact CD2-CG1 4.31Å; L263-N286 CarbonylContact O-C 3.23Å; L263-L287 HydrophobicContact CB-CD1 4.39Å; L263-L287 HydrophobicContact CD2-CD1 4.18Å; L263-L287 HydrophobicContact CG-CD1 4.16Å; L263-L287 WeakPolarHBondContact O-CA 3.34Å; L263-L287 PolarHBondContact O-N 2.95Å
264	L	98.8	Very high	96.5	Very high	32 Å²	32	33.7 Å²	33.7	17%	0.168	19%	0.185	C	C	.	.			trans	-108.8	-33.6	178	-58.1	-178.7	0	0	0	111.6	E240 N262 N286 R288 A289	E240-L264 HydrophobicContact CB-CD1 4.41Å; E240-L264 WeakPolarHBondContact O-CA 3.48Å; E240-L264 WeakPolarHBondContact O-CB 3.36Å; E240-L264 PolarHBondContact O-N 2.96Å; N262-L264 PolarHBondContact O-N 3.41Å; L264-N286 HydrophobicContact CD2-CB 4.24Å; L264-N286 WeakPolarHBondContact CD2-O 3.46Å; L264-R288 HydrophobicContact CB-CG 4.5Å; L264-R288 HydrophobicContact CD2-CG 4.25Å; L264-R288 WeakPolarHBondContact O-CA 3.39Å; L264-R288 PolarHBondContact O-N 3.37Å; L264-A289 PolarHBondContact O-N 3.4Å
265	Y	98.9	Very high	96.8	Very high	61 Å²	61	39 Å²	39	24%	0.239	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.6	-177	-50.7	-82.3	0	0	0	110.2	E240 S241 L242 A289	E240-Y265 PolarHBondContact O-N 2.84Å; S241-Y265 WeakPolarHBondContact CA-O 3.28Å; L242-Y265 PolarHBondContact N-O 3.04Å; Y265-A289 HydrophobicContact CD1-CB 3.8Å; Y265-A289 HydrophobicContact CE1-CB 4.34Å
266	L	98.6	Very high	96.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.7	178.6	178.7	57.7	0	0	0	110.2	L242 L257 L263 L268 L281 L287 A289 I290 A291	L242-L266 HydrophobicContact CB-CD1 4.39Å; L242-L266 HydrophobicContact CD2-CD1 4.2Å; L242-L266 HydrophobicContact CG-CD1 4.36Å; L257-L266 HydrophobicContact CD1-CD2 3.98Å; L263-L266 HydrophobicContact CD2-CB 3.82Å; L263-L266 HydrophobicContact CD2-CD1 3.97Å; L263-L266 HydrophobicContact CD2-CD2 4.36Å; L263-L266 HydrophobicContact CD2-CG 4.26Å; L266-L268 HydrophobicContact CD1-CD1 4.44Å; L266-L268 HydrophobicContact CD1-CD2 4.15Å; L266-L268 HydrophobicContact CD1-CG 4.06Å; L266-L268 HydrophobicContact CD2-CD1 3.98Å; L266-L268 HydrophobicContact CD2-CG 4.45Å; L266-L268 HydrophobicContact CG-CD1 4.04Å; L266-L268 HydrophobicContact CG-CG 3.99Å; L266-L281 HydrophobicContact CD2-CD2 3.88Å; L266-L287 HydrophobicContact CB-CD1 3.76Å; L266-L287 HydrophobicContact CB-CD2 4.25Å; L266-A289 PolarHBondContact N-O 3.34Å; L266-A289 VanDerWaalsContact N-O 3.1Å; L266-I290 HydrophobicContact CB-CG1 4.49Å; L266-I290 HydrophobicContact CD2-CD1 4.39Å; L266-I290 WeakPolarHBondContact O-CA 3.5Å; L266-A291 PolarHBondContact O-N 2.9Å
267	Y	98.6	Very high	96.9	Very high	70 Å²	70	39.5 Å²	39.5	28%	0.275	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.6	179.5	-50.5	-86.5	0	0	0	110.1	L242 L244 E245 A291	L242-Y267 PolarHBondContact O-N 3.18Å; L244-Y267 PolarHBondContact N-O 3.15Å; E245-Y267 VanDerWaalsContact CD-CB 3.48Å; Y267-A291 HydrophobicContact CD1-CB 3.74Å; Y267-A291 HydrophobicContact CE1-CB 4.49Å
268	L	97.8	Very high	96.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.214	C	C	.	.			trans	-128.4	-2.8	-174.7	-66.9	170.7	0	0	0	112.5	L244 L266 N271 F273 A291 M292 M295	L244-L268 HydrophobicContact CB-CD2 4.06Å; L244-L268 HydrophobicContact CD1-CD2 4.19Å; L266-L268 HydrophobicContact CD1-CD1 4.44Å; L266-L268 HydrophobicContact CD1-CD2 4.15Å; L266-L268 HydrophobicContact CD1-CG 4.06Å; L266-L268 HydrophobicContact CD2-CD1 3.98Å; L266-L268 HydrophobicContact CD2-CG 4.45Å; L266-L268 HydrophobicContact CG-CD1 4.04Å; L266-L268 HydrophobicContact CG-CG 3.99Å; L268-N271 WeakPolarHBondContact O-CB 3.36Å; L268-N271 PolarHBondContact O-N 2.7Å; L268-N271 PolarHBondContact O-ND2 3.18Å; L268-F273 HydrophobicContact CD1-CZ 4.47Å; L268-A291 WeakPolarHBondContact CA-O 3.48Å; L268-A291 PolarHBondContact N-O 3.07Å; L268-M292 HydrophobicContact CB-CG 4.02Å; L268-M292 HydrophobicContact CD1-CE 4.19Å; L268-M292 HydrophobicContact CD1-CG 4.08Å; L268-M292 HydrophobicContact CD1-SD 4.12Å; L268-M295 HydrophobicContact CB-CE 3.75Å; L268-M295 WeakPolarHBondContact O-CE 3.48Å
269	T	98.1	Very high	96.7	Very high	13 Å²	13	40 Å²	40	8%	0.08	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41	139.1	-179.8	-58.4	0	0	0	0	113.5	E245 Y246 N271 A291 G293 E294	E245-T269 CarbonylContact C-O 3.54Å; E245-T269 WeakPolarHBondContact CA-O 3.12Å; E245-T269 WeakPolarHBondContact CB-O 3.26Å; E245-T269 WeakPolarHBondContact OE1-CB 3.21Å; Y246-T269 PolarHBondContact N-O 2.8Å; T269-N271 PolarHBondContact O-N 3.01Å; T269-A291 PolarHBondContact N-O 2.94Å; T269-G293 CarbonylContact C-O 3.42Å; T269-G293 VanDerWaalsContact CA-O 3.24Å; T269-G293 WeakPolarHBondContact CA-O 3.04Å; T269-G293 WeakPolarHBondContact CG2-O 3.38Å; T269-G293 PolarHBondContact OG1-N 2.84Å; T269-E294 HydrophobicContact CG2-CB 4.28Å; T269-E294 HydrophobicContact CG2-CG 4.4Å
270	G	97.7	Very high	96.7	Very high	10 Å²	10	39.2 Å²	39.2	10%	0.103	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	11.6	174.6	0	0	0	0	0	115.9	G293	G270-G293 PolarHBondContact N-O 3.34Å
271	N	97.8	Very high	96.6	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.2	C	C	.	.	S	Bend	trans	-83.7	-171.3	171.2	-82.6	-74.1	0	0	0	112.3	L244 N247 I248 I249 L268 T269 F273 M295	L244-N271 PolarHBondContact O-ND2 3.45Å; N247-N271 WeakPolarHBondContact CA-OD1 3.46Å; N247-N271 VanDerWaalsContact CB-OD1 3.22Å; N247-N271 WeakPolarHBondContact CB-OD1 3.43Å; N247-N271 PolarHBondContact O-OD1 3.23Å; I248-N271 PolarHBondContact N-OD1 2.74Å; I249-N271 HydrophobicContact CB-CB 4.3Å; I249-N271 VanDerWaalsContact CB-OD1 3.27Å; I249-N271 WeakPolarHBondContact CB-OD1 3Å; I249-N271 WeakPolarHBondContact CG1-OD1 3.14Å; I249-N271 PolarHBondContact N-OD1 3.31Å; L268-N271 WeakPolarHBondContact O-CB 3.36Å; L268-N271 PolarHBondContact O-N 2.7Å; L268-N271 PolarHBondContact O-ND2 3.18Å; T269-N271 PolarHBondContact O-N 3.01Å; N271-F273 HydrophobicContact CB-CD2 3.71Å; N271-F273 HydrophobicContact CB-CE2 3.71Å; N271-M295 HydrophobicContact CB-CE 4.21Å
272	K	96.1	Very high	96.6	Very high	124 Å²	124	42.7 Å²	42.7	54%	0.539	21%	0.206	S	C	.	.			trans	-109.5	29.4	-171.9	-56.3	-57.8	178.4	-162.2	0	113.8	I249 T274	I249-K272 CarbonylContact O-C 3.27Å; I249-K272 WeakPolarHBondContact O-CA 3.4Å; I249-K272 PolarHBondContact O-N 2.82Å; K272-T274 PolarHBondContact O-N 2.79Å
273	F	95.4	Very high	96.6	Very high	7 Å²	7	42.7 Å²	42.7	3%	0.031	20%	0.204	C	C	.	.			trans	-65.8	130.2	174.6	-66.5	-99	0	0	0	110.3	I249 L252 L268 N271 M280 M292 M295 G296 I297	I249-F273 HydrophobicContact CB-CE2 4.39Å; I249-F273 HydrophobicContact CG2-CE2 4.1Å; I249-F273 HydrophobicContact CG2-CZ 3.94Å; L252-F273 HydrophobicContact CB-CE1 4.07Å; L252-F273 HydrophobicContact CB-CZ 4.13Å; L268-F273 HydrophobicContact CD1-CZ 4.47Å; N271-F273 HydrophobicContact CB-CD2 3.71Å; N271-F273 HydrophobicContact CB-CE2 3.71Å; F273-M280 HydrophobicContact CE1-SD 4.4Å; F273-M292 HydrophobicContact CD1-CE 4.38Å; F273-M292 HydrophobicContact CG-CE 4.4Å; F273-M295 HydrophobicContact CB-CG 4.44Å; F273-M295 HydrophobicContact CB-SD 3.75Å; F273-M295 HydrophobicContact CD2-CE 3.81Å; F273-M295 HydrophobicContact CD2-SD 3.66Å; F273-M295 HydrophobicContact CE2-CE 4.27Å; F273-M295 HydrophobicContact CG-SD 3.96Å; F273-G296 WeakPolarHBondContact O-CA 3.38Å; F273-G296 PolarHBondContact O-N 3.1Å; F273-I297 HydrophobicContact CB-CD1 4.11Å; F273-I297 HydrophobicContact CB-CG1 4.16Å
274	T	94.5	Very high	96.5	Very high	106 Å²	106	42.7 Å²	42.7	65%	0.65	20%	0.204	S	C	*	.			trans	-102.6	-12.1	176.7	55.3	0	0	0	0	113.1	K272 G296	K272-T274 PolarHBondContact O-N 2.79Å; T274-G296 CarbonylContact C-O 3.44Å
275	Q	94.9	Very high	96.4	Very high	140 Å²	140	42.4 Å²	42.4	65%	0.654	21%	0.209	S	C	*	.	S	Bend	trans	-157.4	160.6	179.6	64.2	-174.9	2.9	0	0	110
276	W	94.9	Very high	96.3	Very high	17 Å²	17	43.4 Å²	43.4	6%	0.064	22%	0.218	C	C	.	.			trans	-79.7	132.7	169.3	-176	-81.7	0	0	0	110.5	M280 L281 I290 M292 I297 P301 A304 F305 M316	W276-M280 HydrophobicContact CD2-CE 3.68Å; W276-M280 HydrophobicContact CE3-CE 3.68Å; W276-M280 HydrophobicContact CH2-CE 3.41Å; W276-M280 VanDerWaalsContact CH2-CE 3.41Å; W276-M280 HydrophobicContact CZ2-CE 3.4Å; W276-M280 VanDerWaalsContact CZ2-CE 3.4Å; W276-M280 HydrophobicContact CZ3-CE 3.56Å; W276-L281 HydrophobicContact CH2-CD1 3.88Å; W276-L281 HydrophobicContact CZ2-CD1 3.75Å; W276-I290 HydrophobicContact CH2-CD1 4.17Å; W276-M292 HydrophobicContact CE3-CE 4.38Å; W276-M292 HydrophobicContact CE3-SD 4.06Å; W276-M292 HydrophobicContact CH2-SD 3.99Å; W276-M292 HydrophobicContact CZ3-CE 4.27Å; W276-M292 HydrophobicContact CZ3-SD 3.38Å; W276-M292 WeakPolarHBondContact CZ3-SD 3.5Å; W276-I297 HydrophobicContact CB-CG2 4.13Å; W276-P301 HydrophobicContact CB-CG 4.25Å; W276-P301 HydrophobicContact CG-CG 4.2Å; W276-A304 HydrophobicContact CD2-CB 4.13Å; W276-A304 VanDerWaalsContact CE2-O 3.32Å; W276-A304 HydrophobicContact CG-CB 4.19Å; W276-A304 HydrophobicContact CZ2-CB 4.16Å; W276-A304 WeakPolarHBondContact CZ2-O 3.47Å; W276-A304 PolarHBondContact NE1-O 3.14Å; W276-F305 AromaticContact CH2-CD1 3.82Å; W276-F305 HydrophobicContact CH2-CD1 3.82Å; W276-F305 AromaticContact CH2-CE1 3.26Å; W276-F305 HydrophobicContact CH2-CE1 3.26Å; W276-F305 AromaticContact CH2-CZ 3.99Å; W276-F305 HydrophobicContact CH2-CZ 3.99Å; W276-F305 AromaticContact CZ2-CD1 3.84Å; W276-F305 HydrophobicContact CZ2-CD1 3.84Å; W276-F305 AromaticContact CZ2-CE1 3.7Å; W276-F305 HydrophobicContact CZ2-CE1 3.7Å; W276-F305 HydrophobicContact CZ2-CZ 4.39Å; W276-F305 AromaticContact CZ3-CE1 3.93Å; W276-F305 HydrophobicContact CZ3-CE1 3.93Å; W276-F305 HydrophobicContact CZ3-CZ 4.27Å; W276-M316 HydrophobicContact CE3-CE 4.26Å; W276-M316 HydrophobicContact CZ3-CE 4.47Å; W276-M316 HydrophobicContact CZ3-SD 4.32Å
277	D	94.5	Very high	96.3	Very high	69 Å²	69	43.4 Å²	43.4	37%	0.369	22%	0.218	S	C	.	.			trans	-105.8	111.6	168.7	179.9	-11.4	0	0	0	109.5	D279 M280	D277-D279 PolarHBondContact O-N 3.18Å; D277-D279 PolarHBondContact OD1-N 3.14Å; D277-M280 HydrophobicContact CB-CB 4.18Å; D277-M280 WeakPolarHBondContact O-CG 3.41Å; D277-M280 PolarHBondContact O-N 2.94Å; D277-M280 VanDerWaalsContact O-N 3.08Å
278	S	92.9	Very high	96.3	Very high	15 Å²	15	45.7 Å²	45.7	11%	0.105	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.2	-177.2	-56.1	0	0	0	0	114.3	D303 H307	S278-D303 VanDerWaalsContact CB-CG 3.49Å; S278-D303 VanDerWaalsContact CB-OD1 3.32Å; S278-D303 WeakPolarHBondContact CB-OD1 3.06Å; S278-D303 WeakPolarHBondContact CB-OD2 3.28Å; S278-D303 VanDerWaalsContact OG-CG 3.28Å; S278-D303 PolarHBondContact OG-OD1 3.46Å; S278-H307 PolarHBondContact O-CD2 3.45Å; S278-H307 VanDerWaalsContact O-CD2 3.3Å
279	D	95.7	Very high	96.3	Very high	35 Å²	35	46.1 Å²	46.1	19%	0.187	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-10.1	174.6	-88.3	-44.9	0	0	0	114.9	P254 D277 L281 R282 R306 H307	P254-D279 HydrophobicContact CB-CB 4.46Å; P254-D279 VanDerWaalsContact CB-O 3.29Å; P254-D279 WeakPolarHBondContact CB-O 3.25Å; P254-D279 HydrophobicContact CG-CB 3.65Å; P254-D279 WeakPolarHBondContact CG-O 3.21Å; D277-D279 PolarHBondContact O-N 3.18Å; D277-D279 PolarHBondContact OD1-N 3.14Å; D279-L281 PolarHBondContact O-N 3.03Å; D279-L281 VanDerWaalsContact O-N 3.08Å; D279-R282 WeakPolarHBondContact O-CB 3.2Å; D279-R282 PolarHBondContact O-N 2.96Å; D279-R282 IonicContact OD1-CZ 2.67Å; D279-R282 VanDerWaalsContact OD1-CZ 3.3Å; D279-R282 IonicContact OD1-NE 3.19Å; D279-R282 PolarHBondContact OD1-NE 2.99Å; D279-R282 IonicContact OD1-NH2 3.66Å; D279-R282 PolarHBondContact OD1-NH2 3.31Å; D279-R282 IonicContact OD2-CZ 3.15Å; D279-R282 IonicContact OD2-NH2 3.45Å; D279-R282 PolarHBondContact OD2-NH2 2.83Å; D279-R306 IonicContact OD1-CZ 2.74Å; D279-R306 IonicContact OD1-NE 3.15Å; D279-R306 IonicContact OD1-NH2 3.96Å; D279-R306 PolarHBondContact OD1-NH2 2.95Å; D279-R306 IonicContact OD2-NH2 3.23Å; D279-R306 PolarHBondContact OD2-NH2 3.06Å; D279-H307 IonicContact OD1-CD2 2.76Å; D279-H307 IonicContact OD1-CE1 2.81Å; D279-H307 IonicContact OD1-NE2 3.87Å; D279-H307 PolarHBondContact OD1-NE2 2.65Å
280	M	95.1	Very high	96.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.3	-177.2	78.4	-172.4	169.8	0	0	112.6	L252 F273 W276 D277 M292	L252-M280 HydrophobicContact CB-CB 4.32Å; L252-M280 HydrophobicContact CD2-CB 3.81Å; L252-M280 VanDerWaalsContact CD2-O 3.3Å; L252-M280 WeakPolarHBondContact CD2-O 3.33Å; L252-M280 WeakPolarHBondContact O-CB 3.28Å; F273-M280 HydrophobicContact CE1-SD 4.4Å; W276-M280 HydrophobicContact CD2-CE 3.68Å; W276-M280 HydrophobicContact CE3-CE 3.68Å; W276-M280 HydrophobicContact CH2-CE 3.41Å; W276-M280 VanDerWaalsContact CH2-CE 3.41Å; W276-M280 HydrophobicContact CZ2-CE 3.4Å; W276-M280 VanDerWaalsContact CZ2-CE 3.4Å; W276-M280 HydrophobicContact CZ3-CE 3.56Å; D277-M280 HydrophobicContact CB-CB 4.18Å; D277-M280 WeakPolarHBondContact O-CG 3.41Å; D277-M280 PolarHBondContact O-N 2.94Å; D277-M280 VanDerWaalsContact O-N 3.08Å; M280-M292 HydrophobicContact CE-CE 3.67Å; M280-M292 HydrophobicContact CE-SD 3.57Å; M280-M292 VanDerWaalsContact CE-SD 3.57Å; M280-M292 HydrophobicContact SD-CE 4.17Å
281	L	96.3	Very high	96.4	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	11	-179.8	-55	-178.7	0	0	0	114	L257 L266 W276 D279 H283 V284 I290 T308	L257-L281 HydrophobicContact CD1-CD2 4.3Å; L266-L281 HydrophobicContact CD2-CD2 3.88Å; W276-L281 HydrophobicContact CH2-CD1 3.88Å; W276-L281 HydrophobicContact CZ2-CD1 3.75Å; D279-L281 PolarHBondContact O-N 3.03Å; D279-L281 VanDerWaalsContact O-N 3.08Å; L281-H283 PolarHBondContact O-N 3.41Å; L281-V284 HydrophobicContact CB-CG2 3.87Å; L281-V284 HydrophobicContact CD2-CG2 3.97Å; L281-V284 WeakPolarHBondContact O-CG2 3.24Å; L281-V284 PolarHBondContact O-N 2.86Å; L281-V284 VanDerWaalsContact O-N 3.15Å; L281-I290 HydrophobicContact CD1-CD1 3.7Å; L281-I290 HydrophobicContact CD2-CD1 3.94Å; L281-I290 HydrophobicContact CG-CD1 4.44Å; L281-T308 HydrophobicContact CB-CG2 3.79Å; L281-T308 HydrophobicContact CD1-CG2 3.95Å; L281-T308 HydrophobicContact CG-CG2 4.47Å
282	R	96.8	Very high	96.3	Very high	118 Å²	118	45 Å²	45	45%	0.445	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-35.3	-173.6	177.9	-177.3	-70.7	-134.8	5.6	114.8	P254 D279	P254-R282 HydrophobicContact CB-CB 4.34Å; D279-R282 WeakPolarHBondContact O-CB 3.2Å; D279-R282 PolarHBondContact O-N 2.96Å; D279-R282 IonicContact OD1-CZ 2.67Å; D279-R282 VanDerWaalsContact OD1-CZ 3.3Å; D279-R282 IonicContact OD1-NE 3.19Å; D279-R282 PolarHBondContact OD1-NE 2.99Å; D279-R282 IonicContact OD1-NH2 3.66Å; D279-R282 PolarHBondContact OD1-NH2 3.31Å; D279-R282 IonicContact OD2-CZ 3.15Å; D279-R282 IonicContact OD2-NH2 3.45Å; D279-R282 PolarHBondContact OD2-NH2 2.83Å
283	H	96.8	Very high	96.2	Very high	72 Å²	72	39.2 Å²	39.2	33%	0.333	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-1.3	-173.7	-68.6	-72.1	0	0	0	114.7	P254 A258 P261 L281	P254-H283 PolarHBondContact O-CD2 3.46Å; P254-H283 VanDerWaalsContact O-CD2 3.3Å; A258-H283 HydrophobicContact CB-CB 4.42Å; P261-H283 WeakPolarHBondContact CA-O 3.34Å; L281-H283 PolarHBondContact O-N 3.41Å
284	V	96.5	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.			trans	-113.7	49.4	-175.5	-69.1	0	0	0	0	112.1	L257 T260 L263 L281 N286 L287 T308	L257-V284 HydrophobicContact CB-CG1 3.94Å; L257-V284 HydrophobicContact CD1-CG1 4.2Å; L257-V284 HydrophobicContact CD1-CG2 4.16Å; T260-V284 WeakPolarHBondContact O-CG1 3.37Å; L263-V284 HydrophobicContact CB-CB 4.46Å; L263-V284 HydrophobicContact CB-CG1 3.91Å; L263-V284 HydrophobicContact CD2-CG1 4.31Å; L281-V284 HydrophobicContact CB-CG2 3.87Å; L281-V284 HydrophobicContact CD2-CG2 3.97Å; L281-V284 WeakPolarHBondContact O-CG2 3.24Å; L281-V284 PolarHBondContact O-N 2.86Å; L281-V284 VanDerWaalsContact O-N 3.15Å; V284-N286 PolarHBondContact O-N 3.28Å; V284-L287 VanDerWaalsContact O-CB 3.29Å; V284-L287 WeakPolarHBondContact O-CB 3.38Å; V284-L287 PolarHBondContact O-N 2.94Å; V284-T308 HydrophobicContact CG2-CG2 4.44Å
285	G	96.3	Very high	96.2	Very high	26 Å²	26	38.3 Å²	38.3	27%	0.268	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.8	-172.3	0	0	0	0	0	116.7	H307 N310	G285-H307 WeakPolarHBondContact CA-O 3.46Å; G285-N310 PolarHBondContact O-ND2 3.13Å
286	N	97.3	Very high	96.2	Very high	81 Å²	81	33.3 Å²	33.3	43%	0.433	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	5.5	175	-67.5	-40.9	0	0	0	113.5	L263 L264 V284 R288	L263-N286 CarbonylContact O-C 3.23Å; L264-N286 HydrophobicContact CD2-CB 4.24Å; L264-N286 WeakPolarHBondContact CD2-O 3.46Å; V284-N286 PolarHBondContact O-N 3.28Å; N286-R288 PolarHBondContact O-N 3.14Å
287	L	98.3	Very high	96.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.			trans	-57.5	129.6	-177.7	-159	73	0	0	0	110.9	L263 L266 V284 I290 T308 N310 L311	L263-L287 HydrophobicContact CB-CD1 4.39Å; L263-L287 HydrophobicContact CD2-CD1 4.18Å; L263-L287 HydrophobicContact CG-CD1 4.16Å; L263-L287 WeakPolarHBondContact O-CA 3.34Å; L263-L287 PolarHBondContact O-N 2.95Å; L266-L287 HydrophobicContact CB-CD1 3.76Å; L266-L287 HydrophobicContact CB-CD2 4.25Å; V284-L287 VanDerWaalsContact O-CB 3.29Å; V284-L287 WeakPolarHBondContact O-CB 3.38Å; V284-L287 PolarHBondContact O-N 2.94Å; L287-I290 HydrophobicContact CD2-CB 3.85Å; L287-I290 HydrophobicContact CD2-CD1 4.11Å; L287-I290 HydrophobicContact CD2-CG1 4.24Å; L287-T308 HydrophobicContact CB-CG2 3.98Å; L287-T308 HydrophobicContact CD2-CG2 4.36Å; L287-N310 CarbonylContact O-C 3.47Å; L287-L311 HydrophobicContact CB-CD1 4.46Å; L287-L311 HydrophobicContact CD2-CD1 4.18Å; L287-L311 HydrophobicContact CG-CD1 4.25Å; L287-L311 WeakPolarHBondContact O-CA 3.48Å; L287-L311 PolarHBondContact O-N 2.82Å
288	R	98.7	Very high	96.4	Very high	119 Å²	119	36 Å²	36	45%	0.449	18%	0.176	S	C	.	.			trans	-104.8	-33.8	-179.9	-64.7	-175.8	178.2	-167.9	-1.3	112	L264 N286 L312 R313	L264-R288 HydrophobicContact CB-CG 4.5Å; L264-R288 HydrophobicContact CD2-CG 4.25Å; L264-R288 WeakPolarHBondContact O-CA 3.39Å; L264-R288 PolarHBondContact O-N 3.37Å; N286-R288 PolarHBondContact O-N 3.14Å; R288-L312 HydrophobicContact CB-CD1 4.42Å; R288-L312 HydrophobicContact CB-CG 4.47Å; R288-L312 HydrophobicContact CG-CD1 4.49Å; R288-L312 WeakPolarHBondContact O-CA 3.48Å; R288-L312 PolarHBondContact O-N 3.15Å; R288-R313 PolarHBondContact O-N 2.89Å
289	A	98.8	Very high	96.6	Very high	10 Å²	10	37.8 Å²	37.8	8%	0.083	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	140.3	175.9	0	0	0	0	0	111.4	L264 Y265 L266 R313	L264-A289 PolarHBondContact O-N 3.4Å; Y265-A289 HydrophobicContact CD1-CB 3.8Å; Y265-A289 HydrophobicContact CE1-CB 4.34Å; L266-A289 PolarHBondContact N-O 3.34Å; L266-A289 VanDerWaalsContact N-O 3.1Å; A289-R313 VanDerWaalsContact CA-O 3.31Å; A289-R313 WeakPolarHBondContact CA-O 3.48Å; A289-R313 HydrophobicContact CB-CB 3.99Å
290	I	98.1	Very high	96.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.6	171	-166	171.6	0	0	0	110.1	L266 W276 L281 L287 M292 L311 R313 L314 E315	L266-I290 HydrophobicContact CB-CG1 4.49Å; L266-I290 HydrophobicContact CD2-CD1 4.39Å; L266-I290 WeakPolarHBondContact O-CA 3.5Å; W276-I290 HydrophobicContact CH2-CD1 4.17Å; L281-I290 HydrophobicContact CD1-CD1 3.7Å; L281-I290 HydrophobicContact CD2-CD1 3.94Å; L281-I290 HydrophobicContact CG-CD1 4.44Å; L287-I290 HydrophobicContact CD2-CB 3.85Å; L287-I290 HydrophobicContact CD2-CD1 4.11Å; L287-I290 HydrophobicContact CD2-CG1 4.24Å; I290-M292 HydrophobicContact CD1-CG 4.12Å; I290-M292 HydrophobicContact CD1-SD 3.6Å; I290-M292 VanDerWaalsContact CD1-SD 3.6Å; I290-M292 HydrophobicContact CG1-CG 4Å; I290-M292 HydrophobicContact CG1-SD 4.16Å; I290-L311 HydrophobicContact CB-CD1 4.28Å; I290-L311 HydrophobicContact CG2-CD1 3.96Å; I290-L311 HydrophobicContact CG2-CD2 3.92Å; I290-R313 PolarHBondContact N-O 3.06Å; I290-R313 VanDerWaalsContact N-O 3.09Å; I290-L314 HydrophobicContact CG2-CD1 3.47Å; I290-L314 VanDerWaalsContact CG2-CD1 3.47Å; I290-E315 PolarHBondContact O-N 3.4Å
291	A	98.1	Very high	96.8	Very high	1 Å²	1	37 Å²	37	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.7	172.6	0	0	0	0	0	110.1	L266 Y267 L268 T269 E315	L266-A291 PolarHBondContact O-N 2.9Å; Y267-A291 HydrophobicContact CD1-CB 3.74Å; Y267-A291 HydrophobicContact CE1-CB 4.49Å; L268-A291 WeakPolarHBondContact CA-O 3.48Å; L268-A291 PolarHBondContact N-O 3.07Å; T269-A291 PolarHBondContact N-O 2.94Å; A291-E315 CarbonylContact C-O 3.54Å; A291-E315 WeakPolarHBondContact CA-O 3.45Å; A291-E315 HydrophobicContact CB-CB 4.08Å
292	M	95.6	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.			trans	-138.9	50.1	-178.3	-69.1	-175.3	74.6	0	0	109.8	L268 F273 W276 M280 I290 M295 I297 E315 M316 S319	L268-M292 HydrophobicContact CB-CG 4.02Å; L268-M292 HydrophobicContact CD1-CE 4.19Å; L268-M292 HydrophobicContact CD1-CG 4.08Å; L268-M292 HydrophobicContact CD1-SD 4.12Å; F273-M292 HydrophobicContact CD1-CE 4.38Å; F273-M292 HydrophobicContact CG-CE 4.4Å; W276-M292 HydrophobicContact CE3-CE 4.38Å; W276-M292 HydrophobicContact CE3-SD 4.06Å; W276-M292 HydrophobicContact CH2-SD 3.99Å; W276-M292 HydrophobicContact CZ3-CE 4.27Å; W276-M292 HydrophobicContact CZ3-SD 3.38Å; W276-M292 WeakPolarHBondContact CZ3-SD 3.5Å; M280-M292 HydrophobicContact CE-CE 3.67Å; M280-M292 HydrophobicContact CE-SD 3.57Å; M280-M292 VanDerWaalsContact CE-SD 3.57Å; M280-M292 HydrophobicContact SD-CE 4.17Å; I290-M292 HydrophobicContact CD1-CG 4.12Å; I290-M292 HydrophobicContact CD1-SD 3.6Å; I290-M292 VanDerWaalsContact CD1-SD 3.6Å; I290-M292 HydrophobicContact CG1-CG 4Å; I290-M292 HydrophobicContact CG1-SD 4.16Å; M292-M295 HydrophobicContact CB-CE 3.89Å; M292-M295 HydrophobicContact CB-SD 3.92Å; M292-M295 HydrophobicContact CE-CE 4.29Å; M292-M295 HydrophobicContact CE-SD 3.9Å; M292-M295 HydrophobicContact CG-CE 4.14Å; M292-M295 HydrophobicContact CG-SD 4.48Å; M292-I297 HydrophobicContact CE-CD1 3.74Å; M292-E315 PolarHBondContact N-O 3.39Å; M292-M316 HydrophobicContact CB-CG 4.34Å; M292-S319 PolarHBondContact O-OG 3.04Å
293	G	95.1	Very high	96.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	19%	0.187	C	C	.	.			trans	-80.5	169.3	175.5	0	0	0	0	0	113.2	T269 G270 M295 S317 S319	T269-G293 CarbonylContact C-O 3.42Å; T269-G293 VanDerWaalsContact CA-O 3.24Å; T269-G293 WeakPolarHBondContact CA-O 3.04Å; T269-G293 WeakPolarHBondContact CG2-O 3.38Å; T269-G293 PolarHBondContact OG1-N 2.84Å; G270-G293 PolarHBondContact N-O 3.34Å; G293-M295 VanDerWaalsContact C-N 3.34Å; G293-M295 WeakPolarHBondContact O-CG 3.49Å; G293-M295 PolarHBondContact O-N 3.29Å; G293-S317 CarbonylContact C-O 3.26Å; G293-S317 WeakPolarHBondContact CA-O 3.46Å; G293-S319 VanDerWaalsContact CA-OG 3.28Å; G293-S319 WeakPolarHBondContact CA-OG 3.4Å
294	E	96.8	Very high	96.9	Very high	81 Å²	81	32 Å²	32	38%	0.379	17%	0.172	S	C	.	.	S	Bend	trans	54.2	46.4	173.5	-63.7	-177.4	-121.3	0	0	113.2	Y246 T269 S317 E318 S319	Y246-E294 PolarHBondContact OH-OE1 2.96Å; T269-E294 HydrophobicContact CG2-CB 4.28Å; T269-E294 HydrophobicContact CG2-CG 4.4Å; E294-S317 PolarHBondContact N-O 3.29Å; E294-E318 WeakPolarHBondContact CA-O 3.44Å; E294-E318 HydrophobicContact CG-CB 4.16Å; E294-E318 HydrophobicContact CG-CG 4.42Å; E294-E318 PolarHBondContact N-O 3.38Å; E294-S319 PolarHBondContact N-OG 3.33Å
295	M	93.7	Very high	96.9	Very high	14 Å²	14	32 Å²	32	7%	0.069	17%	0.172	C	C	.	.	S	Bend	trans	-125.9	179.1	-179.8	-67.2	-179.7	-169	0	0	111.9	L268 N271 F273 M292 G293 I297 S319	L268-M295 HydrophobicContact CB-CE 3.75Å; L268-M295 WeakPolarHBondContact O-CE 3.48Å; N271-M295 HydrophobicContact CB-CE 4.21Å; F273-M295 HydrophobicContact CB-CG 4.44Å; F273-M295 HydrophobicContact CB-SD 3.75Å; F273-M295 HydrophobicContact CD2-CE 3.81Å; F273-M295 HydrophobicContact CD2-SD 3.66Å; F273-M295 HydrophobicContact CE2-CE 4.27Å; F273-M295 HydrophobicContact CG-SD 3.96Å; M292-M295 HydrophobicContact CB-CE 3.89Å; M292-M295 HydrophobicContact CB-SD 3.92Å; M292-M295 HydrophobicContact CE-CE 4.29Å; M292-M295 HydrophobicContact CE-SD 3.9Å; M292-M295 HydrophobicContact CG-CE 4.14Å; M292-M295 HydrophobicContact CG-SD 4.48Å; G293-M295 VanDerWaalsContact C-N 3.34Å; G293-M295 WeakPolarHBondContact O-CG 3.49Å; G293-M295 PolarHBondContact O-N 3.29Å; M295-I297 HydrophobicContact CB-CD1 4.36Å; M295-I297 HydrophobicContact CB-CG1 4.12Å; M295-I297 HydrophobicContact SD-CD1 3.78Å; M295-I297 HydrophobicContact SD-CG1 4.46Å; M295-S319 CarbonylContact O-C 3.12Å; M295-S319 VanDerWaalsContact O-CA 3.26Å; M295-S319 WeakPolarHBondContact O-CA 3.21Å
296	G	93.5	Very high	97	Very high	34 Å²	34	35.2 Å²	35.2	35%	0.351	18%	0.176	S	C	.	.			trans	-99.1	28.1	175.5	0	0	0	0	0	114.3	F273 T274 R298 S319	F273-G296 WeakPolarHBondContact O-CA 3.38Å; F273-G296 PolarHBondContact O-N 3.1Å; T274-G296 CarbonylContact C-O 3.44Å; G296-R298 PolarHBondContact O-N 3.22Å; G296-S319 CarbonylContact C-O 3.56Å
297	I	96.2	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.			trans	-83	98.9	-174.6	-59	176.6	0	0	0	110.3	F273 W276 M292 M295 M316 S319 V321	F273-I297 HydrophobicContact CB-CD1 4.11Å; F273-I297 HydrophobicContact CB-CG1 4.16Å; W276-I297 HydrophobicContact CB-CG2 4.13Å; M292-I297 HydrophobicContact CE-CD1 3.74Å; M295-I297 HydrophobicContact CB-CD1 4.36Å; M295-I297 HydrophobicContact CB-CG1 4.12Å; M295-I297 HydrophobicContact SD-CD1 3.78Å; M295-I297 HydrophobicContact SD-CG1 4.46Å; I297-M316 HydrophobicContact CB-CE 4.45Å; I297-M316 HydrophobicContact CD1-CE 4.41Å; I297-M316 HydrophobicContact CG2-CE 4.03Å; I297-S319 CarbonylContact C-O 3.55Å; I297-S319 VanDerWaalsContact C-O 3.26Å; I297-S319 PolarHBondContact N-O 3.44Å; I297-V321 WeakPolarHBondContact O-CA 3.39Å; I297-V321 VanDerWaalsContact O-CG2 3.23Å; I297-V321 WeakPolarHBondContact O-CG2 3.38Å; I297-V321 PolarHBondContact O-N 2.93Å
298	R	97	Very high	96.9	Very high	144 Å²	144	33.9 Å²	33.9	54%	0.543	17%	0.167	S	C	.	.			trans	-73.9	-37.5	-179.6	-67.4	179.8	174.9	-85.5	-3	114.6	G296 A320 V321 D322 T323	G296-R298 PolarHBondContact O-N 3.22Å; R298-A320 WeakPolarHBondContact CA-O 3.16Å; R298-V321 CarbonylContact O-C 3.12Å; R298-V321 WeakPolarHBondContact O-CA 3.34Å; R298-D322 IonicContact NH1-OD2 2.9Å; R298-D322 PolarHBondContact NH1-OD2 3.12Å; R298-D322 PolarHBondContact O-N 3.41Å; R298-T323 PolarHBondContact O-N 3.2Å
299	T	97.7	Very high	96.9	Very high	51 Å²	51	31 Å²	31	31%	0.313	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.4	-171.6	-52	0	0	0	0	110.8	P301 T323 E325	T299-P301 WeakPolarHBondContact O-CD 3.42Å; T299-T323 WeakPolarHBondContact CA-O 3.35Å; T299-T323 HydrophobicContact CG2-CG2 4.16Å; T299-E325 HydrophobicContact CG2-CG 4.08Å
300	I	97.7	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	103.9	164.1	-56.3	-178.1	0	0	0	107.4	A304 F305 M316 V321 T323 I324 E325 A328 F329 L340	I300-A304 HydrophobicContact CG2-CB 3.86Å; I300-F305 HydrophobicContact CG2-CE2 3.79Å; I300-F305 HydrophobicContact CG2-CZ 4.28Å; I300-M316 HydrophobicContact CD1-CE 3.96Å; I300-M316 HydrophobicContact CD1-SD 3.61Å; I300-M316 HydrophobicContact CG1-CE 3.94Å; I300-M316 HydrophobicContact CG1-SD 4.17Å; I300-V321 HydrophobicContact CD1-CG1 4.18Å; I300-V321 HydrophobicContact CD1-CG2 4.44Å; I300-V321 HydrophobicContact CG1-CG1 4.07Å; I300-V321 HydrophobicContact CG1-CG2 4.39Å; I300-T323 PolarHBondContact N-O 2.83Å; I300-I324 HydrophobicContact CB-CG1 4.39Å; I300-I324 HydrophobicContact CB-CG2 4.4Å; I300-I324 HydrophobicContact CD1-CD1 4.44Å; I300-I324 HydrophobicContact CD1-CG1 4.15Å; I300-I324 HydrophobicContact CG1-CG1 4.44Å; I300-E325 PolarHBondContact O-N 3.21Å; I300-A328 HydrophobicContact CG2-CB 3.98Å; I300-F329 HydrophobicContact CD1-CE1 4.25Å; I300-F329 HydrophobicContact CD1-CZ 4.09Å; I300-F329 HydrophobicContact CG2-CE1 4.41Å; I300-L340 HydrophobicContact CD1-CD2 4.07Å
301	P	97.8	Very high	96.8	Very high	20 Å²	20	33.9 Å²	33.9	13%	0.13	18%	0.178	C	C	.	.			trans	-72	160.6	-176.1	28	-34.7	0	0	0	112.9	W276 T299 D303 A304 E325 A328	W276-P301 HydrophobicContact CB-CG 4.25Å; W276-P301 HydrophobicContact CG-CG 4.2Å; T299-P301 WeakPolarHBondContact O-CD 3.42Å; P301-D303 PolarHBondContact O-N 2.7Å; P301-D303 VanDerWaalsContact O-N 3.08Å; P301-A304 HydrophobicContact CG-CB 3.94Å; P301-A304 WeakPolarHBondContact O-CB 3.3Å; P301-A304 PolarHBondContact O-N 2.64Å; P301-E325 VanDerWaalsContact CA-OE2 3.31Å; P301-E325 WeakPolarHBondContact CA-OE2 3.5Å; P301-A328 WeakPolarHBondContact O-CB 3.45Å
302	A	97.8	Very high	96.9	Very high	32 Å²	32	36.3 Å²	36.3	26%	0.264	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.9	-175.5	0	0	0	0	0	113.7	E325 Q326	A302-E325 HydrophobicContact CB-CB 4.07Å; A302-E325 PolarHBondContact N-OE2 2.8Å; A302-Q326 VanDerWaalsContact CB-O 3.27Å; A302-Q326 WeakPolarHBondContact CB-O 3.46Å
303	D	96.9	Very high	97	Very high	53 Å²	53	42.2 Å²	42.2	28%	0.283	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	12.1	179.2	78.2	-29.2	0	0	0	113.5	S278 P301 F305 R306	S278-D303 VanDerWaalsContact CB-CG 3.49Å; S278-D303 VanDerWaalsContact CB-OD1 3.32Å; S278-D303 WeakPolarHBondContact CB-OD1 3.06Å; S278-D303 WeakPolarHBondContact CB-OD2 3.28Å; S278-D303 VanDerWaalsContact OG-CG 3.28Å; S278-D303 PolarHBondContact OG-OD1 3.46Å; P301-D303 PolarHBondContact O-N 2.7Å; P301-D303 VanDerWaalsContact O-N 3.08Å; D303-F305 VanDerWaalsContact C-N 3.27Å; D303-F305 PolarHBondContact O-N 3.05Å; D303-F305 VanDerWaalsContact O-N 3.15Å; D303-R306 HydrophobicContact CB-CB 4.39Å; D303-R306 VanDerWaalsContact O-CB 3.3Å; D303-R306 WeakPolarHBondContact O-CB 3.44Å; D303-R306 WeakPolarHBondContact O-CG 3.39Å; D303-R306 PolarHBondContact O-N 3.42Å; D303-R306 IonicContact OD2-CZ 2.81Å; D303-R306 IonicContact OD2-NE 3.14Å; D303-R306 IonicContact OD2-NH1 3Å; D303-R306 PolarHBondContact OD2-NH1 2.88Å
304	A	96.9	Very high	97.2	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-47.9	-175.2	0	0	0	0	0	113.2	W276 I300 P301	W276-A304 HydrophobicContact CD2-CB 4.13Å; W276-A304 VanDerWaalsContact CE2-O 3.32Å; W276-A304 HydrophobicContact CG-CB 4.19Å; W276-A304 HydrophobicContact CZ2-CB 4.16Å; W276-A304 WeakPolarHBondContact CZ2-O 3.47Å; W276-A304 PolarHBondContact NE1-O 3.14Å; I300-A304 HydrophobicContact CG2-CB 3.86Å; P301-A304 HydrophobicContact CG-CB 3.94Å; P301-A304 WeakPolarHBondContact O-CB 3.3Å; P301-A304 PolarHBondContact O-N 2.64Å
305	F	97.4	Very high	97.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	22.8	-175.2	-50.6	-74.6	0	0	0	113.2	W276 I300 D303 H307 T308 L311 L314 M316 F329 R331 I332	W276-F305 AromaticContact CH2-CD1 3.82Å; W276-F305 HydrophobicContact CH2-CD1 3.82Å; W276-F305 AromaticContact CH2-CE1 3.26Å; W276-F305 HydrophobicContact CH2-CE1 3.26Å; W276-F305 AromaticContact CH2-CZ 3.99Å; W276-F305 HydrophobicContact CH2-CZ 3.99Å; W276-F305 AromaticContact CZ2-CD1 3.84Å; W276-F305 HydrophobicContact CZ2-CD1 3.84Å; W276-F305 AromaticContact CZ2-CE1 3.7Å; W276-F305 HydrophobicContact CZ2-CE1 3.7Å; W276-F305 HydrophobicContact CZ2-CZ 4.39Å; W276-F305 AromaticContact CZ3-CE1 3.93Å; W276-F305 HydrophobicContact CZ3-CE1 3.93Å; W276-F305 HydrophobicContact CZ3-CZ 4.27Å; I300-F305 HydrophobicContact CG2-CE2 3.79Å; I300-F305 HydrophobicContact CG2-CZ 4.28Å; D303-F305 VanDerWaalsContact C-N 3.27Å; D303-F305 PolarHBondContact O-N 3.05Å; D303-F305 VanDerWaalsContact O-N 3.15Å; F305-H307 PolarHBondContact O-N 3.1Å; F305-T308 PolarHBondContact O-N 2.72Å; F305-T308 VanDerWaalsContact O-N 3.09Å; F305-L311 HydrophobicContact CD1-CD2 4.24Å; F305-L311 HydrophobicContact CE1-CD2 4.34Å; F305-L314 HydrophobicContact CE1-CD1 3.75Å; F305-L314 HydrophobicContact CE1-CD2 4.2Å; F305-L314 HydrophobicContact CE2-CD2 3.97Å; F305-L314 HydrophobicContact CZ-CD1 3.74Å; F305-L314 HydrophobicContact CZ-CD2 3.46Å; F305-L314 VanDerWaalsContact CZ-CD2 3.46Å; F305-L314 HydrophobicContact CZ-CG 4.26Å; F305-M316 HydrophobicContact CZ-SD 4.46Å; F305-F329 HydrophobicContact CD2-CD1 4.4Å; F305-F329 AromaticContact CE2-CD1 3.92Å; F305-F329 HydrophobicContact CE2-CD1 3.92Å; F305-F329 AromaticContact CE2-CE1 3.88Å; F305-F329 HydrophobicContact CE2-CE1 3.88Å; F305-R331 HydrophobicContact CB-CB 4.26Å; F305-I332 HydrophobicContact CB-CG2 3.57Å; F305-I332 HydrophobicContact CD2-CD1 4.11Å; F305-I332 HydrophobicContact CE2-CD1 4.41Å; F305-I332 HydrophobicContact CG-CD1 4.34Å; F305-I332 HydrophobicContact CG-CG2 4.12Å
306	R	97	Very high	97.4	Very high	95 Å²	95	40.1 Å²	40.1	36%	0.358	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.8	-175.2	72.5	-168	-168.7	-178.1	8.2	114.1	D279 D303	D279-R306 IonicContact OD1-CZ 2.74Å; D279-R306 IonicContact OD1-NE 3.15Å; D279-R306 IonicContact OD1-NH2 3.96Å; D279-R306 PolarHBondContact OD1-NH2 2.95Å; D279-R306 IonicContact OD2-NH2 3.23Å; D279-R306 PolarHBondContact OD2-NH2 3.06Å; D303-R306 HydrophobicContact CB-CB 4.39Å; D303-R306 VanDerWaalsContact O-CB 3.3Å; D303-R306 WeakPolarHBondContact O-CB 3.44Å; D303-R306 WeakPolarHBondContact O-CG 3.39Å; D303-R306 PolarHBondContact O-N 3.42Å; D303-R306 IonicContact OD2-CZ 2.81Å; D303-R306 IonicContact OD2-NE 3.14Å; D303-R306 IonicContact OD2-NH1 3Å; D303-R306 PolarHBondContact OD2-NH1 2.88Å
307	H	97.5	Very high	97.6	Very high	53 Å²	53	39.6 Å²	39.6	25%	0.245	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-5.4	-177.3	-62.9	-58.1	0	0	0	113.8	S278 D279 G285 F305 P309	S278-H307 PolarHBondContact O-CD2 3.45Å; S278-H307 VanDerWaalsContact O-CD2 3.3Å; D279-H307 IonicContact OD1-CD2 2.76Å; D279-H307 IonicContact OD1-CE1 2.81Å; D279-H307 IonicContact OD1-NE2 3.87Å; D279-H307 PolarHBondContact OD1-NE2 2.65Å; G285-H307 WeakPolarHBondContact CA-O 3.46Å; F305-H307 PolarHBondContact O-N 3.1Å; H307-P309 WeakPolarHBondContact O-CD 3.48Å
308	T	97.4	Very high	97.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.			trans	-125.4	55.6	-174.5	50	0	0	0	0	113	L281 V284 L287 F305 N310 L311 I332	L281-T308 HydrophobicContact CB-CG2 3.79Å; L281-T308 HydrophobicContact CD1-CG2 3.95Å; L281-T308 HydrophobicContact CG-CG2 4.47Å; V284-T308 HydrophobicContact CG2-CG2 4.44Å; L287-T308 HydrophobicContact CB-CG2 3.98Å; L287-T308 HydrophobicContact CD2-CG2 4.36Å; F305-T308 PolarHBondContact O-N 2.72Å; F305-T308 VanDerWaalsContact O-N 3.09Å; T308-N310 PolarHBondContact O-N 2.98Å; T308-L311 PolarHBondContact O-N 3.11Å; T308-I332 VanDerWaalsContact O-CG2 3.3Å; T308-I332 WeakPolarHBondContact O-CG2 3.34Å
309	P	97.3	Very high	97.6	Very high	57 Å²	57	37 Å²	37	37%	0.37	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.9	-172.7	29.6	-37.6	0	0	0	115	H307 L311 R331	H307-P309 WeakPolarHBondContact O-CD 3.48Å; P309-L311 VanDerWaalsContact C-N 3.34Å; P309-R331 WeakPolarHBondContact CA-O 3.49Å
310	N	97.8	Very high	97.5	Very high	74 Å²	74	36 Å²	36	40%	0.396	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	9.2	-178.8	-61.1	-55.1	0	0	0	113.5	G285 L287 T308 L312	G285-N310 PolarHBondContact O-ND2 3.13Å; L287-N310 CarbonylContact O-C 3.47Å; T308-N310 PolarHBondContact O-N 2.98Å; N310-L312 PolarHBondContact O-N 3.03Å
311	L	98.5	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.			trans	-61.3	129.5	-179.5	-157	76.9	0	0	0	110.6	L287 I290 F305 T308 P309 L314 I332 N334 V335	L287-L311 HydrophobicContact CB-CD1 4.46Å; L287-L311 HydrophobicContact CD2-CD1 4.18Å; L287-L311 HydrophobicContact CG-CD1 4.25Å; L287-L311 WeakPolarHBondContact O-CA 3.48Å; L287-L311 PolarHBondContact O-N 2.82Å; I290-L311 HydrophobicContact CB-CD1 4.28Å; I290-L311 HydrophobicContact CG2-CD1 3.96Å; I290-L311 HydrophobicContact CG2-CD2 3.92Å; F305-L311 HydrophobicContact CD1-CD2 4.24Å; F305-L311 HydrophobicContact CE1-CD2 4.34Å; T308-L311 PolarHBondContact O-N 3.11Å; P309-L311 VanDerWaalsContact C-N 3.34Å; L311-L314 HydrophobicContact CD2-CB 4.02Å; L311-L314 HydrophobicContact CD2-CD1 4.38Å; L311-I332 HydrophobicContact CB-CB 4.17Å; L311-I332 HydrophobicContact CB-CG2 3.64Å; L311-I332 HydrophobicContact CD2-CD1 3.94Å; L311-I332 HydrophobicContact CD2-CG2 4.33Å; L311-N334 CarbonylContact O-C 3.52Å; L311-V335 VanDerWaalsContact O-CA 3.3Å; L311-V335 WeakPolarHBondContact O-CA 3.43Å; L311-V335 PolarHBondContact O-N 2.9Å
312	L	98.8	Very high	97.5	Very high	52 Å²	52	37.5 Å²	37.5	27%	0.272	19%	0.191	S	C	.	.			trans	-105.7	-28	177.3	-58	-178.5	0	0	0	111.5	R288 N310 N334 Q336 A337	R288-L312 HydrophobicContact CB-CD1 4.42Å; R288-L312 HydrophobicContact CB-CG 4.47Å; R288-L312 HydrophobicContact CG-CD1 4.49Å; R288-L312 WeakPolarHBondContact O-CA 3.48Å; R288-L312 PolarHBondContact O-N 3.15Å; N310-L312 PolarHBondContact O-N 3.03Å; L312-N334 HydrophobicContact CD2-CB 4.3Å; L312-N334 WeakPolarHBondContact CD2-O 3.48Å; L312-Q336 WeakPolarHBondContact O-CA 3.21Å; L312-Q336 PolarHBondContact O-N 3.04Å; L312-A337 PolarHBondContact O-N 2.76Å; L312-A337 VanDerWaalsContact O-N 3.08Å
313	R	98.8	Very high	97.5	Very high	123 Å²	123	39 Å²	39	46%	0.464	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	128.9	-177.2	-174.7	167.4	-178.3	124.4	-2.8	112	R288 A289 I290 E315 A337	R288-R313 PolarHBondContact O-N 2.89Å; A289-R313 VanDerWaalsContact CA-O 3.31Å; A289-R313 WeakPolarHBondContact CA-O 3.48Å; A289-R313 HydrophobicContact CB-CB 3.99Å; I290-R313 PolarHBondContact N-O 3.06Å; I290-R313 VanDerWaalsContact N-O 3.09Å; R313-E315 HydrophobicContact CG-CG 4.3Å; R313-E315 IonicContact CZ-OE1 3.94Å; R313-E315 IonicContact NE-OE1 3.8Å; R313-E315 PolarHBondContact NE-OE1 3.24Å; R313-E315 IonicContact NH2-OE1 3.98Å; R313-E315 PolarHBondContact NH2-OE1 3.27Å; R313-A337 WeakPolarHBondContact CA-O 3.18Å; R313-A337 HydrophobicContact CG-CB 4.15Å
314	L	98.5	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.3	175.1	175.9	62.1	0	0	0	109.4	I290 F305 L311 M316 F329 A337 I338 A339	I290-L314 HydrophobicContact CG2-CD1 3.47Å; I290-L314 VanDerWaalsContact CG2-CD1 3.47Å; F305-L314 HydrophobicContact CE1-CD1 3.75Å; F305-L314 HydrophobicContact CE1-CD2 4.2Å; F305-L314 HydrophobicContact CE2-CD2 3.97Å; F305-L314 HydrophobicContact CZ-CD1 3.74Å; F305-L314 HydrophobicContact CZ-CD2 3.46Å; F305-L314 VanDerWaalsContact CZ-CD2 3.46Å; F305-L314 HydrophobicContact CZ-CG 4.26Å; L311-L314 HydrophobicContact CD2-CB 4.02Å; L311-L314 HydrophobicContact CD2-CD1 4.38Å; L314-M316 HydrophobicContact CD1-CG 3.75Å; L314-M316 HydrophobicContact CD1-SD 3.83Å; L314-M316 HydrophobicContact CD2-SD 4.31Å; L314-M316 HydrophobicContact CG-CG 4.18Å; L314-M316 HydrophobicContact CG-SD 4.32Å; L314-F329 HydrophobicContact CD2-CD1 4.25Å; L314-F329 HydrophobicContact CD2-CE1 3.57Å; L314-F329 HydrophobicContact CD2-CZ 4.39Å; L314-A337 PolarHBondContact N-O 2.67Å; L314-I338 HydrophobicContact CB-CG1 4.47Å; L314-I338 WeakPolarHBondContact O-CA 3.49Å; L314-A339 PolarHBondContact O-N 2.99Å
315	E	98.2	Very high	97.6	Very high	52 Å²	52	40.8 Å²	40.8	24%	0.243	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117.2	173.4	-60.2	-177.7	176.5	0	0	109.9	I290 A291 M292 R313 A339	I290-E315 PolarHBondContact O-N 3.4Å; A291-E315 CarbonylContact C-O 3.54Å; A291-E315 WeakPolarHBondContact CA-O 3.45Å; A291-E315 HydrophobicContact CB-CB 4.08Å; M292-E315 PolarHBondContact N-O 3.39Å; R313-E315 HydrophobicContact CG-CG 4.3Å; R313-E315 IonicContact CZ-OE1 3.94Å; R313-E315 IonicContact NE-OE1 3.8Å; R313-E315 PolarHBondContact NE-OE1 3.24Å; R313-E315 IonicContact NH2-OE1 3.98Å; R313-E315 PolarHBondContact NH2-OE1 3.27Å; E315-A339 HydrophobicContact CG-CB 4.27Å
316	M	97.3	Very high	97.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.			trans	-138.3	44.5	178.1	-65.8	-175.8	67.7	0	0	109.8	W276 M292 I297 I300 F305 L314 V321 A339 L340 N343	W276-M316 HydrophobicContact CE3-CE 4.26Å; W276-M316 HydrophobicContact CZ3-CE 4.47Å; W276-M316 HydrophobicContact CZ3-SD 4.32Å; M292-M316 HydrophobicContact CB-CG 4.34Å; I297-M316 HydrophobicContact CB-CE 4.45Å; I297-M316 HydrophobicContact CD1-CE 4.41Å; I297-M316 HydrophobicContact CG2-CE 4.03Å; I300-M316 HydrophobicContact CD1-CE 3.96Å; I300-M316 HydrophobicContact CD1-SD 3.61Å; I300-M316 HydrophobicContact CG1-CE 3.94Å; I300-M316 HydrophobicContact CG1-SD 4.17Å; F305-M316 HydrophobicContact CZ-SD 4.46Å; L314-M316 HydrophobicContact CD1-CG 3.75Å; L314-M316 HydrophobicContact CD1-SD 3.83Å; L314-M316 HydrophobicContact CD2-SD 4.31Å; L314-M316 HydrophobicContact CG-CG 4.18Å; L314-M316 HydrophobicContact CG-SD 4.32Å; M316-V321 HydrophobicContact CE-CG2 4.18Å; M316-A339 PolarHBondContact N-O 2.97Å; M316-L340 HydrophobicContact CB-CD2 4Å; M316-N343 PolarHBondContact O-ND2 2.94Å
317	S	96.7	Very high	97.6	Very high	24 Å²	24	43.8 Å²	43.8	17%	0.168	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	141.5	178.5	53.1	0	0	0	0	111.8	G293 E294 S319 H341	G293-S317 CarbonylContact C-O 3.26Å; G293-S317 WeakPolarHBondContact CA-O 3.46Å; E294-S317 PolarHBondContact N-O 3.29Å; S317-S319 PolarHBondContact O-N 2.77Å; S317-S319 PolarHBondContact O-OG 3.23Å; S317-H341 WeakPolarHBondContact CA-O 3.49Å; S317-H341 VanDerWaalsContact CB-CD2 3.43Å; S317-H341 WeakPolarHBondContact CB-CD2 3.39Å; S317-H341 WeakPolarHBondContact CB-NE2 3.31Å
318	E	97	Very high	97.6	Very high	90 Å²	90	41.2 Å²	41.2	42%	0.421	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	33.4	174.7	-156.9	160.9	174.1	0	0	113.3	E294 H341 K342	E294-E318 WeakPolarHBondContact CA-O 3.44Å; E294-E318 HydrophobicContact CG-CB 4.16Å; E294-E318 HydrophobicContact CG-CG 4.42Å; E294-E318 PolarHBondContact N-O 3.38Å; E318-H341 PolarHBondContact N-O 2.99Å; E318-K342 VanDerWaalsContact CA-O 3.26Å; E318-K342 WeakPolarHBondContact CA-O 3.35Å; E318-K342 HydrophobicContact CB-CB 4.07Å; E318-K342 HydrophobicContact CB-CD 4.29Å; E318-K342 HydrophobicContact CG-CB 4.41Å; E318-K342 HydrophobicContact CG-CD 4.46Å; E318-K342 WeakPolarHBondContact OE2-CD 3.02Å; E318-K342 IonicContact OE2-NZ 3.19Å; E318-K342 PolarHBondContact OE2-NZ 3.01Å
319	S	95.7	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-101.7	8.2	-176.7	-64.3	0	0	0	0	114.3	M292 G293 E294 M295 G296 I297 S317 V321 N343	M292-S319 PolarHBondContact O-OG 3.04Å; G293-S319 VanDerWaalsContact CA-OG 3.28Å; G293-S319 WeakPolarHBondContact CA-OG 3.4Å; E294-S319 PolarHBondContact N-OG 3.33Å; M295-S319 CarbonylContact O-C 3.12Å; M295-S319 VanDerWaalsContact O-CA 3.26Å; M295-S319 WeakPolarHBondContact O-CA 3.21Å; G296-S319 CarbonylContact C-O 3.56Å; I297-S319 CarbonylContact C-O 3.55Å; I297-S319 VanDerWaalsContact C-O 3.26Å; I297-S319 PolarHBondContact N-O 3.44Å; S317-S319 PolarHBondContact O-N 2.77Å; S317-S319 PolarHBondContact O-OG 3.23Å; S319-V321 PolarHBondContact O-N 3.24Å; S319-N343 PolarHBondContact N-OD1 3.06Å
320	A	96.4	Very high	97.7	Very high	28 Å²	28	41.7 Å²	41.7	23%	0.231	21%	0.213	C	C	.	.			trans	62.3	24.3	-175.4	0	0	0	0	0	114.7	R298 D322 N343 L344	R298-A320 WeakPolarHBondContact CA-O 3.16Å; A320-D322 PolarHBondContact O-N 3.26Å; A320-N343 PolarHBondContact N-OD1 2.91Å; A320-N343 VanDerWaalsContact N-OD1 3.14Å; A320-L344 HydrophobicContact CB-CD1 4.19Å
321	V	98	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.			trans	-64.7	117.4	179.8	-179.1	0	0	0	0	109.6	I297 R298 I300 M316 S319 I324 N343 L344 L345	I297-V321 WeakPolarHBondContact O-CA 3.39Å; I297-V321 VanDerWaalsContact O-CG2 3.23Å; I297-V321 WeakPolarHBondContact O-CG2 3.38Å; I297-V321 PolarHBondContact O-N 2.93Å; R298-V321 CarbonylContact O-C 3.12Å; R298-V321 WeakPolarHBondContact O-CA 3.34Å; I300-V321 HydrophobicContact CD1-CG1 4.18Å; I300-V321 HydrophobicContact CD1-CG2 4.44Å; I300-V321 HydrophobicContact CG1-CG1 4.07Å; I300-V321 HydrophobicContact CG1-CG2 4.39Å; M316-V321 HydrophobicContact CE-CG2 4.18Å; S319-V321 PolarHBondContact O-N 3.24Å; V321-I324 HydrophobicContact CG1-CG1 4.02Å; V321-N343 HydrophobicContact CB-CB 4.1Å; V321-N343 PolarHBondContact N-OD1 3.2Å; V321-N343 WeakPolarHBondContact O-CB 3.11Å; V321-L344 CarbonylContact O-C 3.56Å; V321-L344 WeakPolarHBondContact O-CA 3.36Å; V321-L344 PolarHBondContact O-N 3.19Å; V321-L345 HydrophobicContact CG1-CD2 4.18Å; V321-L345 PolarHBondContact O-N 3.29Å
322	D	97.6	Very high	97.6	Very high	52 Å²	52	45 Å²	45	28%	0.278	22%	0.22	S	C	.	.			trans	-109.4	-21.7	173.8	57.3	36.9	0	0	0	112	R298 A320 L344	R298-D322 IonicContact NH1-OD2 2.9Å; R298-D322 PolarHBondContact NH1-OD2 3.12Å; R298-D322 PolarHBondContact O-N 3.41Å; A320-D322 PolarHBondContact O-N 3.26Å; D322-L344 HydrophobicContact CB-CB 4.05Å
323	T	97.9	Very high	97.5	Very high	63 Å²	63	45.2 Å²	45.2	39%	0.387	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	129.8	-172	-53.9	0	0	0	0	111.3	R298 T299 I300	R298-T323 PolarHBondContact O-N 3.2Å; T299-T323 WeakPolarHBondContact CA-O 3.35Å; T299-T323 HydrophobicContact CG2-CG2 4.16Å; I300-T323 PolarHBondContact N-O 2.83Å
324	I	98	Very high	97.5	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.4	169.6	-57.6	172.7	0	0	0	107	I300 V321 A328 F329 L340 L345 R349 M352	I300-I324 HydrophobicContact CB-CG1 4.39Å; I300-I324 HydrophobicContact CB-CG2 4.4Å; I300-I324 HydrophobicContact CD1-CD1 4.44Å; I300-I324 HydrophobicContact CD1-CG1 4.15Å; I300-I324 HydrophobicContact CG1-CG1 4.44Å; V321-I324 HydrophobicContact CG1-CG1 4.02Å; I324-A328 HydrophobicContact CG2-CB 4.12Å; I324-F329 HydrophobicContact CD1-CE2 3.88Å; I324-F329 HydrophobicContact CD1-CZ 3.9Å; I324-F329 HydrophobicContact CG2-CD2 4.28Å; I324-F329 HydrophobicContact CG2-CE2 3.73Å; I324-F329 HydrophobicContact CG2-CZ 3.92Å; I324-L340 HydrophobicContact CD1-CD1 3.8Å; I324-L345 HydrophobicContact CD1-CD1 4.13Å; I324-L345 HydrophobicContact CD1-CD2 4.01Å; I324-L345 HydrophobicContact CG1-CD2 4.1Å; I324-R349 PolarHBondContact O-NH2 3.04Å; I324-M352 HydrophobicContact CB-CE 4.27Å; I324-M352 HydrophobicContact CD1-CE 4.32Å; I324-M352 HydrophobicContact CD1-SD 3.91Å; I324-M352 HydrophobicContact CG2-CG 4.37Å
325	E	98	Very high	97.5	Very high	87 Å²	87	42.9 Å²	42.9	41%	0.407	22%	0.221	S	C	.	.			trans	-67.1	151.7	-178.5	-69.2	-173.4	172.7	0	0	111.8	T299 I300 P301 A302 G327 A328	T299-E325 HydrophobicContact CG2-CG 4.08Å; I300-E325 PolarHBondContact O-N 3.21Å; P301-E325 VanDerWaalsContact CA-OE2 3.31Å; P301-E325 WeakPolarHBondContact CA-OE2 3.5Å; A302-E325 HydrophobicContact CB-CB 4.07Å; A302-E325 PolarHBondContact N-OE2 2.8Å; E325-G327 PolarHBondContact O-N 2.96Å; E325-A328 WeakPolarHBondContact O-CB 3.27Å; E325-A328 PolarHBondContact O-N 2.99Å
326	Q	97.5	Very high	97.5	Very high	136 Å²	136	44.8 Å²	44.8	64%	0.636	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	131.2	179.6	175.3	172.5	21.1	0	0	110.3	A302 D351	A302-Q326 VanDerWaalsContact CB-O 3.27Å; A302-Q326 WeakPolarHBondContact CB-O 3.46Å; Q326-D351 WeakPolarHBondContact CB-OD2 3.22Å; Q326-D351 VanDerWaalsContact CG-OD2 3.23Å; Q326-D351 WeakPolarHBondContact CG-OD2 3.47Å
327	G	96.7	Very high	97.6	Very high	22 Å²	22	45.7 Å²	45.7	23%	0.227	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-9.6	178.9	0	0	0	0	0	114.8	E325 F329 Q330	E325-G327 PolarHBondContact O-N 2.96Å; G327-F329 PolarHBondContact O-N 2.8Å; G327-Q330 PolarHBondContact O-N 3.06Å; G327-Q330 PolarHBondContact O-OE1 2.97Å
328	A	97.8	Very high	97.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-51.2	-175	0	0	0	0	0	112.4	I300 P301 I324 E325	I300-A328 HydrophobicContact CG2-CB 3.98Å; P301-A328 WeakPolarHBondContact O-CB 3.45Å; I324-A328 HydrophobicContact CG2-CB 4.12Å; E325-A328 WeakPolarHBondContact O-CB 3.27Å; E325-A328 PolarHBondContact O-N 2.99Å
329	F	98.3	Very high	97.8	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-81	-18.8	-179.7	-59	-41.2	0	0	0	113.6	I300 F305 L314 I324 G327 R331 I332 I338 L340 M352 F353 L356	I300-F329 HydrophobicContact CD1-CE1 4.25Å; I300-F329 HydrophobicContact CD1-CZ 4.09Å; I300-F329 HydrophobicContact CG2-CE1 4.41Å; F305-F329 HydrophobicContact CD2-CD1 4.4Å; F305-F329 AromaticContact CE2-CD1 3.92Å; F305-F329 HydrophobicContact CE2-CD1 3.92Å; F305-F329 AromaticContact CE2-CE1 3.88Å; F305-F329 HydrophobicContact CE2-CE1 3.88Å; L314-F329 HydrophobicContact CD2-CD1 4.25Å; L314-F329 HydrophobicContact CD2-CE1 3.57Å; L314-F329 HydrophobicContact CD2-CZ 4.39Å; I324-F329 HydrophobicContact CD1-CE2 3.88Å; I324-F329 HydrophobicContact CD1-CZ 3.9Å; I324-F329 HydrophobicContact CG2-CD2 4.28Å; I324-F329 HydrophobicContact CG2-CE2 3.73Å; I324-F329 HydrophobicContact CG2-CZ 3.92Å; G327-F329 PolarHBondContact O-N 2.8Å; F329-R331 PolarHBondContact O-N 3.16Å; F329-I332 HydrophobicContact CB-CG1 4.4Å; F329-I332 HydrophobicContact CD1-CD1 4.09Å; F329-I332 CarbonylContact O-C 3.31Å; F329-I332 WeakPolarHBondContact O-CG1 3.44Å; F329-I332 PolarHBondContact O-N 2.93Å; F329-I338 HydrophobicContact CD1-CD1 4.43Å; F329-I338 HydrophobicContact CD2-CD1 4.3Å; F329-I338 HydrophobicContact CE2-CD1 4.49Å; F329-I338 HydrophobicContact CG-CD1 4.28Å; F329-L340 HydrophobicContact CE2-CD1 4.32Å; F329-L340 HydrophobicContact CZ-CD1 4.01Å; F329-M352 HydrophobicContact CD2-CG 4.46Å; F329-M352 HydrophobicContact CE2-CG 4.31Å; F329-F353 HydrophobicContact CD2-CD1 4.02Å; F329-F353 AromaticContact CD2-CE1 3.94Å; F329-F353 HydrophobicContact CD2-CE1 3.94Å; F329-F353 HydrophobicContact CE2-CD1 4.28Å; F329-F353 AromaticContact CE2-CE1 3.72Å; F329-F353 HydrophobicContact CE2-CE1 3.72Å; F329-L356 HydrophobicContact CB-CD1 3.84Å; F329-L356 HydrophobicContact CB-CD2 4.19Å; F329-L356 WeakPolarHBondContact O-CD2 3.46Å
330	Q	97.7	Very high	97.9	Very high	66 Å²	66	41.2 Å²	41.2	31%	0.308	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-66.4	-11.1	176	-71.7	69.9	29.2	0	0	112.6	G327 I332 D351 M352 R354	G327-Q330 PolarHBondContact O-N 3.06Å; G327-Q330 PolarHBondContact O-OE1 2.97Å; Q330-I332 VanDerWaalsContact C-N 3.32Å; Q330-D351 PolarHBondContact NE2-O 2.85Å; Q330-D351 VanDerWaalsContact NE2-O 3.07Å; Q330-M352 PolarHBondContact NE2-O 2.79Å; Q330-R354 PolarHBondContact NE2-O 3.49Å
331	R	96.8	Very high	98	Very high	143 Å²	143	42.1 Å²	42.1	54%	0.54	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-75.6	-16.6	168.8	-58.8	-56.9	-179.4	-168.2	-0.9	113.9	F305 P309 F329 P333	F305-R331 HydrophobicContact CB-CB 4.26Å; P309-R331 WeakPolarHBondContact CA-O 3.49Å; F329-R331 PolarHBondContact O-N 3.16Å; R331-P333 VanDerWaalsContact C-CD 3.41Å; R331-P333 WeakPolarHBondContact O-CD 3.47Å
332	I	98	Very high	98	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.			trans	-121.8	62.9	-179.8	51.4	172.3	0	0	0	111.1	F305 T308 L311 F329 Q330 N334 V335	F305-I332 HydrophobicContact CB-CG2 3.57Å; F305-I332 HydrophobicContact CD2-CD1 4.11Å; F305-I332 HydrophobicContact CE2-CD1 4.41Å; F305-I332 HydrophobicContact CG-CD1 4.34Å; F305-I332 HydrophobicContact CG-CG2 4.12Å; T308-I332 VanDerWaalsContact O-CG2 3.3Å; T308-I332 WeakPolarHBondContact O-CG2 3.34Å; L311-I332 HydrophobicContact CB-CB 4.17Å; L311-I332 HydrophobicContact CB-CG2 3.64Å; L311-I332 HydrophobicContact CD2-CD1 3.94Å; L311-I332 HydrophobicContact CD2-CG2 4.33Å; F329-I332 HydrophobicContact CB-CG1 4.4Å; F329-I332 HydrophobicContact CD1-CD1 4.09Å; F329-I332 CarbonylContact O-C 3.31Å; F329-I332 WeakPolarHBondContact O-CG1 3.44Å; F329-I332 PolarHBondContact O-N 2.93Å; Q330-I332 VanDerWaalsContact C-N 3.32Å; I332-N334 PolarHBondContact O-N 2.82Å; I332-V335 HydrophobicContact CB-CB 4.39Å; I332-V335 HydrophobicContact CD1-CB 4.04Å; I332-V335 HydrophobicContact CD1-CG1 4.3Å; I332-V335 HydrophobicContact CD1-CG2 4.12Å; I332-V335 HydrophobicContact CG1-CB 4.23Å; I332-V335 HydrophobicContact CG1-CG1 4.3Å; I332-V335 WeakPolarHBondContact O-CB 3.48Å; I332-V335 VanDerWaalsContact O-CG1 3.3Å; I332-V335 WeakPolarHBondContact O-CG1 3.47Å; I332-V335 PolarHBondContact O-N 3.27Å
333	P	97	Very high	98.1	Very high	57 Å²	57	44.7 Å²	44.7	37%	0.37	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.4	-170	27.7	-37	0	0	0	114.5	R331	R331-P333 VanDerWaalsContact C-CD 3.41Å; R331-P333 WeakPolarHBondContact O-CD 3.47Å
334	N	98	Very high	98.1	Very high	74 Å²	74	44.8 Å²	44.8	40%	0.396	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	7.6	-179.6	-61.3	-50.7	0	0	0	113.4	L311 L312 I332 Q336	L311-N334 CarbonylContact O-C 3.52Å; L312-N334 HydrophobicContact CD2-CB 4.3Å; L312-N334 WeakPolarHBondContact CD2-O 3.48Å; I332-N334 PolarHBondContact O-N 2.82Å; N334-Q336 PolarHBondContact O-N 2.95Å
335	V	98.7	Very high	98.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.			trans	-60.1	133.3	178.8	70.1	0	0	0	0	110.5	L311 I332 I338 L356 Q358 L359	L311-V335 VanDerWaalsContact O-CA 3.3Å; L311-V335 WeakPolarHBondContact O-CA 3.43Å; L311-V335 PolarHBondContact O-N 2.9Å; I332-V335 HydrophobicContact CB-CB 4.39Å; I332-V335 HydrophobicContact CD1-CB 4.04Å; I332-V335 HydrophobicContact CD1-CG1 4.3Å; I332-V335 HydrophobicContact CD1-CG2 4.12Å; I332-V335 HydrophobicContact CG1-CB 4.23Å; I332-V335 HydrophobicContact CG1-CG1 4.3Å; I332-V335 WeakPolarHBondContact O-CB 3.48Å; I332-V335 VanDerWaalsContact O-CG1 3.3Å; I332-V335 WeakPolarHBondContact O-CG1 3.47Å; I332-V335 PolarHBondContact O-N 3.27Å; V335-I338 HydrophobicContact CG1-CD1 3.99Å; V335-I338 HydrophobicContact CG1-CG1 4.33Å; V335-I338 HydrophobicContact CG2-CD1 4.25Å; V335-I338 HydrophobicContact CG2-CG1 3.72Å; V335-L356 HydrophobicContact CG1-CB 4.43Å; V335-L356 HydrophobicContact CG1-CD1 4Å; V335-L356 HydrophobicContact CG1-CD2 4.01Å; V335-L356 HydrophobicContact CG1-CG 4.37Å; V335-Q358 CarbonylContact O-C 3.54Å; V335-Q358 VanDerWaalsContact O-C 3.24Å; V335-L359 HydrophobicContact CG1-CD1 4.44Å; V335-L359 VanDerWaalsContact O-CA 3.3Å; V335-L359 WeakPolarHBondContact O-CA 3.32Å; V335-L359 PolarHBondContact O-N 3.31Å; V335-L359 VanDerWaalsContact O-N 3.15Å
336	Q	98.8	Very high	98.1	Very high	92 Å²	92	43.9 Å²	43.9	43%	0.43	22%	0.223	S	C	.	.			trans	-108.6	-31.1	-177.1	-62.9	177.7	-6.1	0	0	112.1	L312 N334 Q358 Y360 A361	L312-Q336 WeakPolarHBondContact O-CA 3.21Å; L312-Q336 PolarHBondContact O-N 3.04Å; N334-Q336 PolarHBondContact O-N 2.95Å; Q336-Q358 WeakPolarHBondContact CA-O 3.39Å; Q336-Q358 HydrophobicContact CG-CB 4.35Å; Q336-Y360 WeakPolarHBondContact O-CA 3.45Å; Q336-Y360 PolarHBondContact O-N 3.4Å; Q336-A361 PolarHBondContact O-N 2.88Å
337	A	98.8	Very high	98.2	Very high	18 Å²	18	40.6 Å²	40.6	15%	0.149	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.4	180	0	0	0	0	0	111.3	L312 R313 L314 A361	L312-A337 PolarHBondContact O-N 2.76Å; L312-A337 VanDerWaalsContact O-N 3.08Å; R313-A337 WeakPolarHBondContact CA-O 3.18Å; R313-A337 HydrophobicContact CG-CB 4.15Å; L314-A337 PolarHBondContact N-O 2.67Å; A337-A361 VanDerWaalsContact CA-O 3.3Å; A337-A361 WeakPolarHBondContact CA-O 3.25Å; A337-A361 HydrophobicContact CB-CB 4.32Å
338	I	98.7	Very high	98.2	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.5	172.2	-63.1	175.1	0	0	0	108.2	L314 F329 V335 L340 F353 L356 L359 A361 L362 D363	L314-I338 HydrophobicContact CB-CG1 4.47Å; L314-I338 WeakPolarHBondContact O-CA 3.49Å; F329-I338 HydrophobicContact CD1-CD1 4.43Å; F329-I338 HydrophobicContact CD2-CD1 4.3Å; F329-I338 HydrophobicContact CE2-CD1 4.49Å; F329-I338 HydrophobicContact CG-CD1 4.28Å; V335-I338 HydrophobicContact CG1-CD1 3.99Å; V335-I338 HydrophobicContact CG1-CG1 4.33Å; V335-I338 HydrophobicContact CG2-CD1 4.25Å; V335-I338 HydrophobicContact CG2-CG1 3.72Å; I338-L340 HydrophobicContact CG2-CD1 3.55Å; I338-L340 HydrophobicContact CG2-CG 3.7Å; I338-F353 HydrophobicContact CD1-CD1 4.4Å; I338-F353 HydrophobicContact CD1-CE1 4.37Å; I338-L356 HydrophobicContact CD1-CD1 4.02Å; I338-L359 HydrophobicContact CB-CD1 4.31Å; I338-L359 HydrophobicContact CD1-CD1 3.99Å; I338-L359 HydrophobicContact CG1-CD1 3.89Å; I338-A361 PolarHBondContact N-O 2.66Å; I338-L362 HydrophobicContact CB-CD1 3.88Å; I338-L362 HydrophobicContact CG2-CD1 3.93Å; I338-L362 WeakPolarHBondContact O-CA 3.48Å; I338-D363 PolarHBondContact O-N 3.42Å
339	A	98.6	Very high	98.3	Very high	16 Å²	16	42.7 Å²	42.7	13%	0.132	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113	173.5	0	0	0	0	0	110	L314 E315 M316	L314-A339 PolarHBondContact O-N 2.99Å; E315-A339 HydrophobicContact CG-CB 4.27Å; M316-A339 PolarHBondContact N-O 2.97Å
340	L	98.5	Very high	98.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.			trans	-127.7	23.1	-179.4	-71.3	166	0	0	0	110.8	I300 M316 I324 F329 I338 N343 D363 L364 N367	I300-L340 HydrophobicContact CD1-CD2 4.07Å; M316-L340 HydrophobicContact CB-CD2 4Å; I324-L340 HydrophobicContact CD1-CD1 3.8Å; F329-L340 HydrophobicContact CE2-CD1 4.32Å; F329-L340 HydrophobicContact CZ-CD1 4.01Å; I338-L340 HydrophobicContact CG2-CD1 3.55Å; I338-L340 HydrophobicContact CG2-CG 3.7Å; L340-N343 VanDerWaalsContact C-ND2 3.27Å; L340-N343 PolarHBondContact O-ND2 2.92Å; L340-D363 CarbonylContact C-O 3.52Å; L340-D363 WeakPolarHBondContact CA-O 3.35Å; L340-D363 PolarHBondContact N-O 3.46Å; L340-L364 HydrophobicContact CB-CD2 3.95Å; L340-L364 HydrophobicContact CD1-CD2 4.09Å; L340-N367 PolarHBondContact O-ND2 2.04Å
341	H	98.5	Very high	98.2	Very high	47 Å²	47	43 Å²	43	22%	0.218	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	156.4	178.5	59.6	-101.9	0	0	0	112.5	S317 E318 N343 D363 S365	S317-H341 WeakPolarHBondContact CA-O 3.49Å; S317-H341 VanDerWaalsContact CB-CD2 3.43Å; S317-H341 WeakPolarHBondContact CB-CD2 3.39Å; S317-H341 WeakPolarHBondContact CB-NE2 3.31Å; E318-H341 PolarHBondContact N-O 2.99Å; H341-N343 VanDerWaalsContact C-N 3.26Å; H341-N343 PolarHBondContact O-N 3.35Å; H341-N343 PolarHBondContact O-ND2 2.96Å; H341-D363 IonicContact CE1-OD2 3.72Å; H341-D363 IonicContact CG-OD2 2.83Å; H341-D363 PolarHBondContact N-O 3.46Å; H341-D363 IonicContact ND1-OD2 2.66Å; H341-D363 PolarHBondContact ND1-OD2 2.64Å; H341-S365 CarbonylContact C-O 3.54Å; H341-S365 WeakPolarHBondContact CA-O 3.44Å; H341-S365 VanDerWaalsContact CB-O 3.27Å; H341-S365 WeakPolarHBondContact CB-O 3.32Å; H341-S365 VanDerWaalsContact CB-OG 3.3Å; H341-S365 WeakPolarHBondContact CB-OG 3.07Å
342	K	98.5	Very high	98.2	Very high	103 Å²	103	36.7 Å²	36.7	45%	0.448	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	34.3	-178.9	-59.8	174.6	173.5	-176.7	0	113.9	E318 S365 N366	E318-K342 VanDerWaalsContact CA-O 3.26Å; E318-K342 WeakPolarHBondContact CA-O 3.35Å; E318-K342 HydrophobicContact CB-CB 4.07Å; E318-K342 HydrophobicContact CB-CD 4.29Å; E318-K342 HydrophobicContact CG-CB 4.41Å; E318-K342 HydrophobicContact CG-CD 4.46Å; E318-K342 WeakPolarHBondContact OE2-CD 3.02Å; E318-K342 IonicContact OE2-NZ 3.19Å; E318-K342 PolarHBondContact OE2-NZ 3.01Å; K342-S365 PolarHBondContact N-O 3.47Å; K342-N366 WeakPolarHBondContact CA-O 3.49Å; K342-N366 HydrophobicContact CB-CB 4.44Å; K342-N366 HydrophobicContact CG-CB 3.81Å; K342-N366 PolarHBondContact N-O 2.76Å
343	N	98.6	Very high	98.2	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	-104.3	-166.7	172.9	-79.2	-62.3	0	0	0	110.5	M316 S319 A320 V321 L340 H341 N367	M316-N343 PolarHBondContact O-ND2 2.94Å; S319-N343 PolarHBondContact N-OD1 3.06Å; A320-N343 PolarHBondContact N-OD1 2.91Å; A320-N343 VanDerWaalsContact N-OD1 3.14Å; V321-N343 HydrophobicContact CB-CB 4.1Å; V321-N343 PolarHBondContact N-OD1 3.2Å; V321-N343 WeakPolarHBondContact O-CB 3.11Å; L340-N343 VanDerWaalsContact C-ND2 3.27Å; L340-N343 PolarHBondContact O-ND2 2.92Å; H341-N343 VanDerWaalsContact C-N 3.26Å; H341-N343 PolarHBondContact O-N 3.35Å; H341-N343 PolarHBondContact O-ND2 2.96Å; N343-N367 VanDerWaalsContact CA-OD1 3.29Å; N343-N367 WeakPolarHBondContact CA-OD1 3.3Å; N343-N367 WeakPolarHBondContact CB-OD1 3.29Å; N343-N367 PolarHBondContact N-OD1 3.46Å; N343-N367 PolarHBondContact O-OD1 2.74Å
344	L	98.3	Very high	98.2	Very high	64 Å²	64	43 Å²	43	34%	0.335	21%	0.211	S	C	.	.			trans	-115.8	25.4	-174.2	-58.4	176.7	0	0	0	111.6	A320 V321 D322 T346 N367	A320-L344 HydrophobicContact CB-CD1 4.19Å; V321-L344 CarbonylContact O-C 3.56Å; V321-L344 WeakPolarHBondContact O-CA 3.36Å; V321-L344 PolarHBondContact O-N 3.19Å; D322-L344 HydrophobicContact CB-CB 4.05Å; L344-T346 PolarHBondContact O-N 3.43Å; L344-N367 PolarHBondContact N-OD1 3.38Å
345	L	98.6	Very high	98.1	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	21%	0.213	C	C	.	.			trans	-66.3	132	178.7	-62.7	172.7	0	0	0	109.8	V321 I324 L364 N367 E368 L369	V321-L345 HydrophobicContact CG1-CD2 4.18Å; V321-L345 PolarHBondContact O-N 3.29Å; I324-L345 HydrophobicContact CD1-CD1 4.13Å; I324-L345 HydrophobicContact CD1-CD2 4.01Å; I324-L345 HydrophobicContact CG1-CD2 4.1Å; L345-L364 HydrophobicContact CD1-CD2 3.81Å; L345-N367 HydrophobicContact CB-CB 4.3Å; L345-N367 WeakPolarHBondContact CB-OD1 3.33Å; L345-N367 PolarHBondContact N-OD1 2.89Å; L345-E368 CarbonylContact O-C 3.29Å; L345-E368 WeakPolarHBondContact O-CA 3.17Å; L345-E368 PolarHBondContact O-N 3.34Å; L345-L369 HydrophobicContact CB-CD2 3.8Å; L345-L369 PolarHBondContact O-N 2.85Å; L345-L369 VanDerWaalsContact O-N 3.15Å
346	T	98.5	Very high	98.1	Very high	71 Å²	71	41.5 Å²	41.5	44%	0.436	21%	0.213	S	C	.	.			trans	-108	-20	-178.4	55.8	0	0	0	0	113.6	L344 E368 L369 R370	L344-T346 PolarHBondContact O-N 3.43Å; T346-E368 HydrophobicContact CG2-CB 4.18Å; T346-L369 WeakPolarHBondContact O-CA 3.3Å; T346-R370 PolarHBondContact O-N 3.4Å
347	E	98.2	Very high	98.1	Very high	68 Å²	68	41 Å²	41	32%	0.318	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156.9	175.2	65.1	174.2	-168.3	0	0	112.9	R349 K371	E347-R349 HydrophobicContact CG-CG 4.3Å; E347-K371 CarbonylContact C-O 3.53Å; E347-K371 WeakPolarHBondContact CA-O 3.38Å; E347-K371 HydrophobicContact CB-CB 4.03Å; E347-K371 IonicContact OE2-NZ 3.82Å; E347-K371 PolarHBondContact OE2-NZ 2.83Å
348	V	98.5	Very high	98	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	114.6	168.2	-173.8	0	0	0	0	109.1	M352 F353 L364 L369 K371 V372 D373 A376 W377	V348-M352 HydrophobicContact CG1-SD 4.35Å; V348-F353 HydrophobicContact CG1-CD2 4.22Å; V348-F353 HydrophobicContact CG1-CE2 3.81Å; V348-L364 HydrophobicContact CG2-CD1 4.12Å; V348-L369 HydrophobicContact CG2-CD1 3.85Å; V348-L369 HydrophobicContact CG2-CD2 3.73Å; V348-L369 HydrophobicContact CG2-CG 4.43Å; V348-K371 PolarHBondContact N-O 2.86Å; V348-V372 HydrophobicContact CB-CG1 4.44Å; V348-V372 HydrophobicContact CB-CG2 4.29Å; V348-V372 HydrophobicContact CG2-CG2 4.36Å; V348-D373 PolarHBondContact O-N 3.29Å; V348-A376 HydrophobicContact CB-CB 4.48Å; V348-A376 HydrophobicContact CG1-CB 3.91Å; V348-W377 HydrophobicContact CB-CZ2 4.17Å; V348-W377 HydrophobicContact CG1-CZ2 3.91Å; V348-W377 HydrophobicContact CG2-CH2 4.39Å; V348-W377 HydrophobicContact CG2-CZ2 3.89Å
349	R	98	Very high	98	Very high	66 Å²	66	44.4 Å²	44.4	25%	0.249	23%	0.226	C	C	.	.			trans	-86.1	150.5	-179.7	-55.4	-174.4	-61.5	165.7	3	111.8	I324 E347 D351 M352 D373	I324-R349 PolarHBondContact O-NH2 3.04Å; E347-R349 HydrophobicContact CG-CG 4.3Å; R349-D351 WeakPolarHBondContact CB-OD1 3.48Å; R349-D351 IonicContact CZ-OD1 3.4Å; R349-D351 IonicContact CZ-OD2 3.66Å; R349-D351 IonicContact NE-OD1 3.02Å; R349-D351 IonicContact NH2-OD2 2.74Å; R349-D351 PolarHBondContact O-N 3.4Å; R349-D351 VanDerWaalsContact O-N 3.15Å; R349-M352 WeakPolarHBondContact O-CB 3.05Å; R349-M352 PolarHBondContact O-N 2.66Å; R349-M352 VanDerWaalsContact O-N 3.15Å; R349-D373 WeakPolarHBondContact CA-OD2 3.35Å
350	A	97.5	Very high	98	Very high	39 Å²	39	46.8 Å²	46.8	32%	0.322	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24	-178	0	0	0	0	0	114.5	D373 D374	A350-D373 HydrophobicContact CB-CB 4.13Å; A350-D373 PolarHBondContact N-OD2 3.04Å; A350-D374 WeakPolarHBondContact CB-O 3.43Å
351	D	96.7	Very high	98	Very high	33 Å²	33	48.1 Å²	48.1	18%	0.176	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-19.3	-179.6	66.1	-62.1	0	0	0	113.8	Q326 Q330 R349 F353 R354	Q326-D351 WeakPolarHBondContact CB-OD2 3.22Å; Q326-D351 VanDerWaalsContact CG-OD2 3.23Å; Q326-D351 WeakPolarHBondContact CG-OD2 3.47Å; Q330-D351 PolarHBondContact NE2-O 2.85Å; Q330-D351 VanDerWaalsContact NE2-O 3.07Å; R349-D351 WeakPolarHBondContact CB-OD1 3.48Å; R349-D351 IonicContact CZ-OD1 3.4Å; R349-D351 IonicContact CZ-OD2 3.66Å; R349-D351 IonicContact NE-OD1 3.02Å; R349-D351 IonicContact NH2-OD2 2.74Å; R349-D351 PolarHBondContact O-N 3.4Å; R349-D351 VanDerWaalsContact O-N 3.15Å; D351-F353 PolarHBondContact O-N 3.46Å; D351-R354 WeakPolarHBondContact O-CB 3.3Å; D351-R354 PolarHBondContact O-N 2.98Å
352	M	97.8	Very high	98	Very high	11 Å²	11	46 Å²	46	5%	0.054	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-47.8	-165.4	-172.7	178.2	-70.3	0	0	112.7	I324 F329 Q330 V348 R349	I324-M352 HydrophobicContact CB-CE 4.27Å; I324-M352 HydrophobicContact CD1-CE 4.32Å; I324-M352 HydrophobicContact CD1-SD 3.91Å; I324-M352 HydrophobicContact CG2-CG 4.37Å; F329-M352 HydrophobicContact CD2-CG 4.46Å; F329-M352 HydrophobicContact CE2-CG 4.31Å; Q330-M352 PolarHBondContact NE2-O 2.79Å; V348-M352 HydrophobicContact CG1-SD 4.35Å; R349-M352 WeakPolarHBondContact O-CB 3.05Å; R349-M352 PolarHBondContact O-N 2.66Å; R349-M352 VanDerWaalsContact O-N 3.15Å
353	F	98	Very high	98	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	7.3	-178.3	-55.2	-68.4	0	0	0	113.2	F329 I338 V348 D351 G355 L356 L359 L362 L364 W377 L380	F329-F353 HydrophobicContact CD2-CD1 4.02Å; F329-F353 AromaticContact CD2-CE1 3.94Å; F329-F353 HydrophobicContact CD2-CE1 3.94Å; F329-F353 HydrophobicContact CE2-CD1 4.28Å; F329-F353 AromaticContact CE2-CE1 3.72Å; F329-F353 HydrophobicContact CE2-CE1 3.72Å; I338-F353 HydrophobicContact CD1-CD1 4.4Å; I338-F353 HydrophobicContact CD1-CE1 4.37Å; V348-F353 HydrophobicContact CG1-CD2 4.22Å; V348-F353 HydrophobicContact CG1-CE2 3.81Å; D351-F353 PolarHBondContact O-N 3.46Å; F353-G355 PolarHBondContact O-N 2.98Å; F353-L356 HydrophobicContact CB-CD1 4.16Å; F353-L356 HydrophobicContact CD1-CD1 4.04Å; F353-L356 WeakPolarHBondContact O-CB 3.37Å; F353-L356 VanDerWaalsContact O-CG 3.27Å; F353-L356 WeakPolarHBondContact O-CG 3.26Å; F353-L356 PolarHBondContact O-N 3.42Å; F353-L359 HydrophobicContact CD1-CD2 4.27Å; F353-L362 HydrophobicContact CD1-CD1 4.46Å; F353-L362 HydrophobicContact CD1-CD2 4.15Å; F353-L362 HydrophobicContact CD2-CD2 3.94Å; F353-L362 HydrophobicContact CE1-CD1 3.71Å; F353-L362 HydrophobicContact CE1-CD2 3.92Å; F353-L362 HydrophobicContact CE2-CD2 3.68Å; F353-L362 HydrophobicContact CG-CD2 4.16Å; F353-L362 HydrophobicContact CZ-CD1 3.82Å; F353-L362 HydrophobicContact CZ-CD2 3.68Å; F353-L362 HydrophobicContact CZ-CG 4.39Å; F353-L364 HydrophobicContact CE2-CD1 4.16Å; F353-L364 HydrophobicContact CZ-CD1 4.22Å; F353-L364 HydrophobicContact CZ-CD2 4.31Å; F353-W377 AromaticContact CD2-CD1 3.83Å; F353-W377 AromaticContact CD2-NE1 3.7Å; F353-W377 AromaticContact CE2-NE1 3.77Å; F353-L380 HydrophobicContact CB-CD1 4.1Å; F353-L380 WeakPolarHBondContact O-CD2 3.44Å
354	R	97	Very high	98.1	Very high	188 Å²	188	42.8 Å²	42.8	71%	0.709	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	130.9	-173.8	-176.9	177.7	176.1	178.6	0.4	111.7	Q330 D351 L356	Q330-R354 PolarHBondContact NE2-O 3.49Å; D351-R354 WeakPolarHBondContact O-CB 3.3Å; D351-R354 PolarHBondContact O-N 2.98Å; R354-L356 VanDerWaalsContact C-N 3.33Å
355	G	96.2	Very high	98.1	Very high	42 Å²	42	40.1 Å²	40.1	43%	0.433	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	3.4	175.4	0	0	0	0	0	115.2	F353 N357	F353-G355 PolarHBondContact O-N 2.98Å; G355-N357 PolarHBondContact O-N 2.82Å
356	L	98.1	Very high	98.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.226	C	C	.	.			trans	-80.1	67.9	175.2	-55.1	-178.3	0	0	0	110.8	F329 V335 I338 F353 R354 Q358 L359 L380	F329-L356 HydrophobicContact CB-CD1 3.84Å; F329-L356 HydrophobicContact CB-CD2 4.19Å; F329-L356 WeakPolarHBondContact O-CD2 3.46Å; V335-L356 HydrophobicContact CG1-CB 4.43Å; V335-L356 HydrophobicContact CG1-CD1 4Å; V335-L356 HydrophobicContact CG1-CD2 4.01Å; V335-L356 HydrophobicContact CG1-CG 4.37Å; I338-L356 HydrophobicContact CD1-CD1 4.02Å; F353-L356 HydrophobicContact CB-CD1 4.16Å; F353-L356 HydrophobicContact CD1-CD1 4.04Å; F353-L356 WeakPolarHBondContact O-CB 3.37Å; F353-L356 VanDerWaalsContact O-CG 3.27Å; F353-L356 WeakPolarHBondContact O-CG 3.26Å; F353-L356 PolarHBondContact O-N 3.42Å; R354-L356 VanDerWaalsContact C-N 3.33Å; L356-Q358 PolarHBondContact O-N 2.89Å; L356-Q358 VanDerWaalsContact O-N 3.08Å; L356-L359 HydrophobicContact CB-CB 3.89Å; L356-L359 HydrophobicContact CB-CD2 4.4Å; L356-L359 HydrophobicContact CD1-CD2 4.16Å; L356-L359 VanDerWaalsContact O-CB 3.27Å; L356-L359 WeakPolarHBondContact O-CB 3.36Å; L356-L359 PolarHBondContact O-N 3.09Å; L356-L380 HydrophobicContact CB-CD2 4.2Å
357	N	97.8	Very high	98.1	Very high	83 Å²	83	40.6 Å²	40.6	44%	0.444	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.1	-169.8	-64.5	-19	0	0	0	114.2	G355 P381 A382	G355-N357 PolarHBondContact O-N 2.82Å; N357-P381 HydrophobicContact CB-CG 4.46Å; N357-A382 VanDerWaalsContact O-CB 3.23Å; N357-A382 WeakPolarHBondContact O-CB 3.49Å
358	Q	98.2	Very high	98.1	Very high	93 Å²	93	41.6 Å²	41.6	44%	0.435	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-2.7	178.8	-57.7	-55.5	-57.7	0	0	113.2	V335 Q336 L356 Y360	V335-Q358 CarbonylContact O-C 3.54Å; V335-Q358 VanDerWaalsContact O-C 3.24Å; Q336-Q358 WeakPolarHBondContact CA-O 3.39Å; Q336-Q358 HydrophobicContact CG-CB 4.35Å; L356-Q358 PolarHBondContact O-N 2.89Å; L356-Q358 VanDerWaalsContact O-N 3.08Å; Q358-Y360 PolarHBondContact O-N 2.99Å
359	L	98.6	Very high	98.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.			trans	-66	110.7	-177.3	-175.7	65.1	0	0	0	109.7	V335 I338 F353 L356 A361 L362 L380 A382 L383	V335-L359 HydrophobicContact CG1-CD1 4.44Å; V335-L359 VanDerWaalsContact O-CA 3.3Å; V335-L359 WeakPolarHBondContact O-CA 3.32Å; V335-L359 PolarHBondContact O-N 3.31Å; V335-L359 VanDerWaalsContact O-N 3.15Å; I338-L359 HydrophobicContact CB-CD1 4.31Å; I338-L359 HydrophobicContact CD1-CD1 3.99Å; I338-L359 HydrophobicContact CG1-CD1 3.89Å; F353-L359 HydrophobicContact CD1-CD2 4.27Å; L356-L359 HydrophobicContact CB-CB 3.89Å; L356-L359 HydrophobicContact CB-CD2 4.4Å; L356-L359 HydrophobicContact CD1-CD2 4.16Å; L356-L359 VanDerWaalsContact O-CB 3.27Å; L356-L359 WeakPolarHBondContact O-CB 3.36Å; L356-L359 PolarHBondContact O-N 3.09Å; L359-A361 WeakPolarHBondContact CD1-O 3.48Å; L359-L362 HydrophobicContact CD2-CB 4.33Å; L359-L362 HydrophobicContact CD2-CD2 4.38Å; L359-L380 HydrophobicContact CD2-CD1 4.33Å; L359-A382 CarbonylContact O-C 3.48Å; L359-A382 VanDerWaalsContact O-C 3.25Å; L359-L383 HydrophobicContact CG-CD1 4.33Å; L359-L383 WeakPolarHBondContact O-CA 3.22Å; L359-L383 PolarHBondContact O-N 3.33Å
360	Y	98.5	Very high	98.1	Very high	66 Å²	66	46.8 Å²	46.8	26%	0.259	23%	0.232	S	C	.	.			trans	-99.7	-39.1	-176.9	-178.1	-89.3	0	0	0	112.1	Q336 Q358 A382 R384 N385	Q336-Y360 WeakPolarHBondContact O-CA 3.45Å; Q336-Y360 PolarHBondContact O-N 3.4Å; Q358-Y360 PolarHBondContact O-N 2.99Å; Y360-A382 WeakPolarHBondContact CA-O 3.42Å; Y360-A382 WeakPolarHBondContact CD2-O 3.46Å; Y360-R384 HydrophobicContact CD2-CB 4.24Å; Y360-R384 HydrophobicContact CD2-CG 3.93Å; Y360-R384 HydrophobicContact CE1-CB 4.25Å; Y360-R384 HydrophobicContact CE2-CB 3.73Å; Y360-R384 HydrophobicContact CE2-CG 3.39Å; Y360-R384 PolarHBondContact O-N 3.49Å; Y360-N385 PolarHBondContact O-N 3.16Å
361	A	98.6	Very high	98.1	Very high	27 Å²	27	49.7 Å²	49.7	22%	0.223	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.4	-178.5	0	0	0	0	0	111.9	Q336 A337 I338 L359 N385	Q336-A361 PolarHBondContact O-N 2.88Å; A337-A361 VanDerWaalsContact CA-O 3.3Å; A337-A361 WeakPolarHBondContact CA-O 3.25Å; A337-A361 HydrophobicContact CB-CB 4.32Å; I338-A361 PolarHBondContact N-O 2.66Å; L359-A361 WeakPolarHBondContact CD1-O 3.48Å; A361-N385 CarbonylContact C-O 3.34Å; A361-N385 WeakPolarHBondContact CA-O 3.48Å; A361-N385 HydrophobicContact CB-CB 4.08Å
362	L	98.7	Very high	98.2	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121.4	175.5	176.1	60	0	0	0	109.5	I338 F353 L359 L364 L383 N385 L386 D387	I338-L362 HydrophobicContact CB-CD1 3.88Å; I338-L362 HydrophobicContact CG2-CD1 3.93Å; I338-L362 WeakPolarHBondContact O-CA 3.48Å; F353-L362 HydrophobicContact CD1-CD1 4.46Å; F353-L362 HydrophobicContact CD1-CD2 4.15Å; F353-L362 HydrophobicContact CD2-CD2 3.94Å; F353-L362 HydrophobicContact CE1-CD1 3.71Å; F353-L362 HydrophobicContact CE1-CD2 3.92Å; F353-L362 HydrophobicContact CE2-CD2 3.68Å; F353-L362 HydrophobicContact CG-CD2 4.16Å; F353-L362 HydrophobicContact CZ-CD1 3.82Å; F353-L362 HydrophobicContact CZ-CD2 3.68Å; F353-L362 HydrophobicContact CZ-CG 4.39Å; L359-L362 HydrophobicContact CD2-CB 4.33Å; L359-L362 HydrophobicContact CD2-CD2 4.38Å; L362-L364 HydrophobicContact CD1-CD1 4.46Å; L362-L364 HydrophobicContact CD1-CD2 4.32Å; L362-L364 HydrophobicContact CD1-CG 4.08Å; L362-L364 HydrophobicContact CD2-CD1 3.97Å; L362-L364 HydrophobicContact CD2-CG 4.42Å; L362-L364 HydrophobicContact CG-CD1 4.15Å; L362-L364 HydrophobicContact CG-CG 4.06Å; L362-L383 HydrophobicContact CB-CD1 4.13Å; L362-N385 PolarHBondContact N-O 3.38Å; L362-L386 HydrophobicContact CB-CD1 3.93Å; L362-L386 HydrophobicContact CD2-CD1 3.83Å; L362-L386 HydrophobicContact CG-CD1 3.81Å; L362-L386 VanDerWaalsContact O-CA 3.31Å; L362-L386 WeakPolarHBondContact O-CA 3.21Å; L362-L386 WeakPolarHBondContact O-CD1 3.34Å; L362-D387 PolarHBondContact O-N 3.43Å
363	D	98.8	Very high	98.3	Very high	38 Å²	38	50 Å²	50	20%	0.203	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.8	178	-176.2	3.3	0	0	0	110.2	I338 L340 H341 S365 D387	I338-D363 PolarHBondContact O-N 3.42Å; L340-D363 CarbonylContact C-O 3.52Å; L340-D363 WeakPolarHBondContact CA-O 3.35Å; L340-D363 PolarHBondContact N-O 3.46Å; H341-D363 IonicContact CE1-OD2 3.72Å; H341-D363 IonicContact CG-OD2 2.83Å; H341-D363 PolarHBondContact N-O 3.46Å; H341-D363 IonicContact ND1-OD2 2.66Å; H341-D363 PolarHBondContact ND1-OD2 2.64Å; D363-S365 VanDerWaalsContact OD1-CB 3.28Å; D363-S365 WeakPolarHBondContact OD1-CB 3.23Å; D363-S365 PolarHBondContact OD1-N 2.93Å; D363-S365 PolarHBondContact OD1-OG 3.29Å; D363-D387 HydrophobicContact CB-CB 4.48Å
364	L	98.7	Very high	98.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.256	C	S	.	.			trans	-118.5	18.2	176.5	-64.4	169.6	0	0	0	110.9	L340 L345 V348 F353 L362 N367 L369 W377 D387 L388 N391	L340-L364 HydrophobicContact CB-CD2 3.95Å; L340-L364 HydrophobicContact CD1-CD2 4.09Å; L345-L364 HydrophobicContact CD1-CD2 3.81Å; V348-L364 HydrophobicContact CG2-CD1 4.12Å; F353-L364 HydrophobicContact CE2-CD1 4.16Å; F353-L364 HydrophobicContact CZ-CD1 4.22Å; F353-L364 HydrophobicContact CZ-CD2 4.31Å; L362-L364 HydrophobicContact CD1-CD1 4.46Å; L362-L364 HydrophobicContact CD1-CD2 4.32Å; L362-L364 HydrophobicContact CD1-CG 4.08Å; L362-L364 HydrophobicContact CD2-CD1 3.97Å; L362-L364 HydrophobicContact CD2-CG 4.42Å; L362-L364 HydrophobicContact CG-CD1 4.15Å; L362-L364 HydrophobicContact CG-CG 4.06Å; L364-N367 PolarHBondContact O-ND2 2.81Å; L364-L369 HydrophobicContact CB-CD1 4.12Å; L364-L369 HydrophobicContact CD1-CD1 4.47Å; L364-W377 HydrophobicContact CD1-CZ2 4.02Å; L364-D387 CarbonylContact C-O 3.33Å; L364-D387 WeakPolarHBondContact CA-O 3.29Å; L364-D387 PolarHBondContact N-O 3.45Å; L364-L388 HydrophobicContact CB-CD2 4.11Å; L364-L388 HydrophobicContact CD1-CD2 4.07Å; L364-N391 PolarHBondContact O-ND2 2.98Å
365	S	98.5	Very high	98.3	Very high	8 Å²	8	48.9 Å²	48.9	6%	0.056	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	156.1	-179.2	62.3	0	0	0	0	112.1	H341 K342 D363 N367 D387 S389	H341-S365 CarbonylContact C-O 3.54Å; H341-S365 WeakPolarHBondContact CA-O 3.44Å; H341-S365 VanDerWaalsContact CB-O 3.27Å; H341-S365 WeakPolarHBondContact CB-O 3.32Å; H341-S365 VanDerWaalsContact CB-OG 3.3Å; H341-S365 WeakPolarHBondContact CB-OG 3.07Å; K342-S365 PolarHBondContact N-O 3.47Å; D363-S365 VanDerWaalsContact OD1-CB 3.28Å; D363-S365 WeakPolarHBondContact OD1-CB 3.23Å; D363-S365 PolarHBondContact OD1-N 2.93Å; D363-S365 PolarHBondContact OD1-OG 3.29Å; S365-N367 VanDerWaalsContact C-N 3.26Å; S365-N367 PolarHBondContact O-N 3.39Å; S365-N367 PolarHBondContact O-ND2 2.82Å; S365-D387 WeakPolarHBondContact CB-OD1 3.33Å; S365-D387 PolarHBondContact N-O 2.88Å; S365-S389 CarbonylContact C-O 3.47Å; S365-S389 WeakPolarHBondContact CA-O 3.33Å; S365-S389 WeakPolarHBondContact CB-O 3.41Å
366	N	98.5	Very high	98.3	Very high	73 Å²	73	47 Å²	47	39%	0.39	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	38	176.7	-66.8	80.7	0	0	0	113.4	K342 S389 N390	K342-N366 WeakPolarHBondContact CA-O 3.49Å; K342-N366 HydrophobicContact CB-CB 4.44Å; K342-N366 HydrophobicContact CG-CB 3.81Å; K342-N366 PolarHBondContact N-O 2.76Å; N366-S389 PolarHBondContact N-O 3.05Å; N366-N390 VanDerWaalsContact CA-O 3.22Å; N366-N390 WeakPolarHBondContact CA-O 3.41Å; N366-N390 HydrophobicContact CB-CB 4.43Å; N366-N390 PolarHBondContact N-O 3.49Å; N366-N390 PolarHBondContact OD1-ND2 3.19Å; N366-N390 VanDerWaalsContact OD1-ND2 3.09Å
367	N	98.8	Very high	98.3	Very high	11 Å²	11	47 Å²	47	6%	0.059	22%	0.223	C	C	.	.	S	Bend	trans	-103.9	-170.5	169.2	-83.6	-88.3	0	0	0	109.9	L340 N343 L344 L345 L364 S365 L369 N391	L340-N367 PolarHBondContact O-ND2 2.04Å; N343-N367 VanDerWaalsContact CA-OD1 3.29Å; N343-N367 WeakPolarHBondContact CA-OD1 3.3Å; N343-N367 WeakPolarHBondContact CB-OD1 3.29Å; N343-N367 PolarHBondContact N-OD1 3.46Å; N343-N367 PolarHBondContact O-OD1 2.74Å; L344-N367 PolarHBondContact N-OD1 3.38Å; L345-N367 HydrophobicContact CB-CB 4.3Å; L345-N367 WeakPolarHBondContact CB-OD1 3.33Å; L345-N367 PolarHBondContact N-OD1 2.89Å; L364-N367 PolarHBondContact O-ND2 2.81Å; S365-N367 VanDerWaalsContact C-N 3.26Å; S365-N367 PolarHBondContact O-N 3.39Å; S365-N367 PolarHBondContact O-ND2 2.82Å; N367-L369 HydrophobicContact CB-CG 4.02Å; N367-N391 VanDerWaalsContact CA-OD1 3.31Å; N367-N391 WeakPolarHBondContact CA-OD1 3.47Å; N367-N391 WeakPolarHBondContact CB-OD1 3.24Å; N367-N391 PolarHBondContact N-OD1 3.08Å; N367-N391 PolarHBondContact O-OD1 2.75Å; N367-N391 VanDerWaalsContact O-OD1 3.1Å
368	E	98.2	Very high	98.3	Very high	90 Å²	90	43.4 Å²	43.4	42%	0.421	21%	0.206	S	C	.	.			trans	-106.9	29.4	175.5	-63.1	-168.6	-156	0	0	112.2	L345 T346 R370	L345-E368 CarbonylContact O-C 3.29Å; L345-E368 WeakPolarHBondContact O-CA 3.17Å; L345-E368 PolarHBondContact O-N 3.34Å; T346-E368 HydrophobicContact CG2-CB 4.18Å; E368-R370 PolarHBondContact O-N 3.37Å; E368-R370 VanDerWaalsContact O-N 3.12Å
369	L	98.8	Very high	98.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.208	C	C	.	.			trans	-62.2	118	-172	-62.6	174.8	0	0	0	110.9	L345 T346 V348 L364 N367 L388 N391 A392 L393	L345-L369 HydrophobicContact CB-CD2 3.8Å; L345-L369 PolarHBondContact O-N 2.85Å; L345-L369 VanDerWaalsContact O-N 3.15Å; T346-L369 WeakPolarHBondContact O-CA 3.3Å; V348-L369 HydrophobicContact CG2-CD1 3.85Å; V348-L369 HydrophobicContact CG2-CD2 3.73Å; V348-L369 HydrophobicContact CG2-CG 4.43Å; L364-L369 HydrophobicContact CB-CD1 4.12Å; L364-L369 HydrophobicContact CD1-CD1 4.47Å; N367-L369 HydrophobicContact CB-CG 4.02Å; L369-L388 HydrophobicContact CD1-CD2 4.4Å; L369-N391 HydrophobicContact CB-CB 4.09Å; L369-N391 VanDerWaalsContact CB-OD1 3.25Å; L369-N391 WeakPolarHBondContact CB-OD1 3.31Å; L369-N391 VanDerWaalsContact CG-OD1 3.25Å; L369-N391 WeakPolarHBondContact CG-OD1 3.42Å; L369-N391 PolarHBondContact N-OD1 3.31Å; L369-A392 CarbonylContact O-C 3.01Å; L369-A392 WeakPolarHBondContact O-CA 3.49Å; L369-A392 WeakPolarHBondContact O-CB 3.28Å; L369-A392 PolarHBondContact O-N 3.09Å; L369-L393 HydrophobicContact CB-CD2 3.99Å; L369-L393 HydrophobicContact CB-CG 4.24Å; L369-L393 PolarHBondContact O-N 3.1Å; L369-L393 VanDerWaalsContact O-N 3.07Å
370	R	98.3	Very high	98.1	Very high	175 Å²	175	44 Å²	44	66%	0.66	21%	0.208	S	C	*	.			trans	-111.3	-20.6	176.1	-67.7	171.7	-166.9	-134.4	3.7	112.6	T346 E368 A392	T346-R370 PolarHBondContact O-N 3.4Å; E368-R370 PolarHBondContact O-N 3.37Å; E368-R370 VanDerWaalsContact O-N 3.12Å; R370-A392 HydrophobicContact CG-CB 3.64Å
371	K	98.2	Very high	98	Very high	100 Å²	100	43.4 Å²	43.4	44%	0.435	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.5	-173.7	-178.1	179	165.3	-113.9	0	110.8	E347 V348 D373	E347-K371 CarbonylContact C-O 3.53Å; E347-K371 WeakPolarHBondContact CA-O 3.38Å; E347-K371 HydrophobicContact CB-CB 4.03Å; E347-K371 IonicContact OE2-NZ 3.82Å; E347-K371 PolarHBondContact OE2-NZ 2.83Å; V348-K371 PolarHBondContact N-O 2.86Å; K371-D373 WeakPolarHBondContact CE-OD1 3.31Å; K371-D373 IonicContact NZ-OD1 2.87Å; K371-D373 PolarHBondContact NZ-OD1 2.9Å
372	V	98.5	Very high	98	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.048	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.8	170.3	175	0	0	0	0	105.8	V348 A376 W377 L393 L396 P397 T400	V348-V372 HydrophobicContact CB-CG1 4.44Å; V348-V372 HydrophobicContact CB-CG2 4.29Å; V348-V372 HydrophobicContact CG2-CG2 4.36Å; V372-A376 HydrophobicContact CG1-CB 3.41Å; V372-A376 VanDerWaalsContact CG1-CB 3.41Å; V372-W377 HydrophobicContact CB-CH2 4.41Å; V372-W377 HydrophobicContact CG1-CE3 4.3Å; V372-W377 HydrophobicContact CG1-CH2 3.72Å; V372-W377 HydrophobicContact CG1-CZ3 3.54Å; V372-W377 HydrophobicContact CG2-CH2 3.73Å; V372-W377 HydrophobicContact CG2-CZ3 4.24Å; V372-L393 HydrophobicContact CG2-CD1 4.41Å; V372-L393 HydrophobicContact CG2-CD2 3.69Å; V372-L396 HydrophobicContact CB-CD2 3.8Å; V372-L396 HydrophobicContact CG1-CD2 4.07Å; V372-L396 HydrophobicContact CG2-CD2 3.7Å; V372-P397 WeakPolarHBondContact O-CD 3.43Å; V372-P397 VanDerWaalsContact O-CG 3.24Å; V372-P397 WeakPolarHBondContact O-CG 3.13Å; V372-T400 HydrophobicContact CG1-CG2 4.42Å
373	D	98.4	Very high	98	Very high	43 Å²	43	43 Å²	43	23%	0.23	21%	0.209	C	C	.	.			trans	-68.3	155.8	175	-76	-10.5	0	0	0	110.7	V348 R349 A350 K371 F375 A376	V348-D373 PolarHBondContact O-N 3.29Å; R349-D373 WeakPolarHBondContact CA-OD2 3.35Å; A350-D373 HydrophobicContact CB-CB 4.13Å; A350-D373 PolarHBondContact N-OD2 3.04Å; K371-D373 WeakPolarHBondContact CE-OD1 3.31Å; K371-D373 IonicContact NZ-OD1 2.87Å; K371-D373 PolarHBondContact NZ-OD1 2.9Å; D373-F375 PolarHBondContact O-N 3.18Å; D373-A376 WeakPolarHBondContact O-CB 3.44Å; D373-A376 PolarHBondContact O-N 2.94Å
374	D	97.6	Very high	97.9	Very high	65 Å²	65	42.5 Å²	42.5	35%	0.348	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	141.7	173.3	-156.8	10.3	0	0	0	110.1	A350 A376 P397 G399	A350-D374 WeakPolarHBondContact CB-O 3.43Å; D374-A376 VanDerWaalsContact C-N 3.27Å; D374-A376 PolarHBondContact O-N 3.03Å; D374-P397 HydrophobicContact CB-CB 3.82Å; D374-P397 HydrophobicContact CB-CG 4.35Å; D374-P397 WeakPolarHBondContact OD1-CB 3.17Å; D374-G399 WeakPolarHBondContact OD1-CA 3.34Å; D374-G399 PolarHBondContact OD1-N 3.17Å
375	F	97.7	Very high	97.9	Very high	100 Å²	100	44.6 Å²	44.6	44%	0.439	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	17.8	-175.6	-48.5	-78.3	0	0	0	116.5	D373 W377 A378 G399 N402	D373-F375 PolarHBondContact O-N 3.18Å; F375-W377 VanDerWaalsContact C-N 3.28Å; F375-W377 PolarHBondContact O-N 2.93Å; F375-W377 VanDerWaalsContact O-N 3.14Å; F375-A378 HydrophobicContact CB-CB 3.73Å; F375-A378 HydrophobicContact CD1-CB 4.01Å; F375-A378 HydrophobicContact CG-CB 4.38Å; F375-A378 WeakPolarHBondContact O-CB 3.12Å; F375-A378 PolarHBondContact O-N 2.8Å; F375-G399 WeakPolarHBondContact CD1-O 3.45Å; F375-N402 HydrophobicContact CD1-CB 4.27Å; F375-N402 HydrophobicContact CE1-CB 4.4Å
376	A	97.7	Very high	97.9	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.017	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-38.5	-179.9	0	0	0	0	0	116.2	V348 V372 D373 D374	V348-A376 HydrophobicContact CB-CB 4.48Å; V348-A376 HydrophobicContact CG1-CB 3.91Å; V372-A376 HydrophobicContact CG1-CB 3.41Å; V372-A376 VanDerWaalsContact CG1-CB 3.41Å; D373-A376 WeakPolarHBondContact O-CB 3.44Å; D373-A376 PolarHBondContact O-N 2.94Å; D374-A376 VanDerWaalsContact C-N 3.27Å; D374-A376 PolarHBondContact O-N 3.03Å
377	W	97.8	Very high	97.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	18.6	177.1	-58	-72.6	0	0	0	112.6	V348 F353 L364 V372 F375 L380 L383 L386 L388 L396 T400 F401 T404	V348-W377 HydrophobicContact CB-CZ2 4.17Å; V348-W377 HydrophobicContact CG1-CZ2 3.91Å; V348-W377 HydrophobicContact CG2-CH2 4.39Å; V348-W377 HydrophobicContact CG2-CZ2 3.89Å; F353-W377 AromaticContact CD2-CD1 3.83Å; F353-W377 AromaticContact CD2-NE1 3.7Å; F353-W377 AromaticContact CE2-NE1 3.77Å; L364-W377 HydrophobicContact CD1-CZ2 4.02Å; V372-W377 HydrophobicContact CB-CH2 4.41Å; V372-W377 HydrophobicContact CG1-CE3 4.3Å; V372-W377 HydrophobicContact CG1-CH2 3.72Å; V372-W377 HydrophobicContact CG1-CZ3 3.54Å; V372-W377 HydrophobicContact CG2-CH2 3.73Å; V372-W377 HydrophobicContact CG2-CZ3 4.24Å; F375-W377 VanDerWaalsContact C-N 3.28Å; F375-W377 PolarHBondContact O-N 2.93Å; F375-W377 VanDerWaalsContact O-N 3.14Å; W377-L380 HydrophobicContact CB-CD1 4.04Å; W377-L383 HydrophobicContact CB-CD2 4.35Å; W377-L386 HydrophobicContact CD2-CD2 3.87Å; W377-L386 HydrophobicContact CE3-CD2 4.13Å; W377-L386 HydrophobicContact CG-CD2 4.24Å; W377-L386 HydrophobicContact CZ2-CD2 4.3Å; W377-L386 HydrophobicContact CZ3-CD2 4.47Å; W377-L388 HydrophobicContact CH2-CD1 3.65Å; W377-L388 HydrophobicContact CH2-CD2 3.79Å; W377-L388 HydrophobicContact CH2-CG 4.38Å; W377-L388 HydrophobicContact CZ2-CD1 4.3Å; W377-L388 HydrophobicContact CZ2-CD2 3.68Å; W377-L388 HydrophobicContact CZ3-CD1 4.05Å; W377-L396 HydrophobicContact CZ3-CD2 4.31Å; W377-T400 CarbonylContact C-O 3.55Å; W377-T400 HydrophobicContact CE3-CG2 3.3Å; W377-T400 HydrophobicContact CZ3-CG2 3.43Å; W377-T400 VanDerWaalsContact CZ3-CG2 3.43Å; W377-T400 PolarHBondContact N-O 2.81Å; W377-F401 HydrophobicContact CE3-CE1 4.02Å; W377-F401 HydrophobicContact CE3-CZ 4.41Å; W377-T404 VanDerWaalsContact O-CB 3.31Å; W377-T404 WeakPolarHBondContact O-CB 3.35Å; W377-T404 WeakPolarHBondContact O-CG2 3.14Å
378	A	96.4	Very high	97.9	Very high	9 Å²	9	41.1 Å²	41.1	7%	0.074	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	150.5	179.4	0	0	0	0	0	111.4	F375 L380 N402	F375-A378 HydrophobicContact CB-CB 3.73Å; F375-A378 HydrophobicContact CD1-CB 4.01Å; F375-A378 HydrophobicContact CG-CB 4.38Å; F375-A378 WeakPolarHBondContact O-CB 3.12Å; F375-A378 PolarHBondContact O-N 2.8Å; A378-L380 VanDerWaalsContact C-N 3.29Å; A378-L380 PolarHBondContact O-N 3.31Å; A378-N402 CarbonylContact C-O 3.59Å; A378-N402 WeakPolarHBondContact CA-O 3.44Å; A378-N402 HydrophobicContact CB-CB 4.12Å; A378-N402 WeakPolarHBondContact CB-O 3.19Å
379	H	96.3	Very high	97.9	Very high	103 Å²	103	36.8 Å²	36.8	48%	0.477	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	37.6	177.4	-48.4	-66.8	0	0	0	114	P381 N402 D403	H379-P381 VanDerWaalsContact C-CD 3.47Å; H379-P381 WeakPolarHBondContact O-CD 3.3Å; H379-N402 PolarHBondContact N-O 3.07Å; H379-D403 IonicContact CE1-OD2 3.71Å; H379-D403 PolarHBondContact CE1-OD2 2.94Å; H379-D403 WeakPolarHBondContact ND1-CB 3.45Å; H379-D403 IonicContact ND1-OD2 3.94Å; H379-D403 PolarHBondContact ND1-OD2 2.94Å; H379-D403 VanDerWaalsContact ND1-OD2 3.15Å
380	L	97.7	Very high	97.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.19	C	C	.	.			trans	-107	77.9	170.5	-61.3	178.9	0	0	0	109.9	F353 L356 L359 W377 A378 A382 L383 T404	F353-L380 HydrophobicContact CB-CD1 4.1Å; F353-L380 WeakPolarHBondContact O-CD2 3.44Å; L356-L380 HydrophobicContact CB-CD2 4.2Å; L359-L380 HydrophobicContact CD2-CD1 4.33Å; W377-L380 HydrophobicContact CB-CD1 4.04Å; A378-L380 VanDerWaalsContact C-N 3.29Å; A378-L380 PolarHBondContact O-N 3.31Å; L380-A382 VanDerWaalsContact C-N 3.25Å; L380-A382 PolarHBondContact O-N 3.2Å; L380-A382 VanDerWaalsContact O-N 3.17Å; L380-L383 HydrophobicContact CB-CB 3.91Å; L380-L383 HydrophobicContact CB-CD2 4.37Å; L380-L383 HydrophobicContact CD1-CD2 3.98Å; L380-L383 WeakPolarHBondContact O-CB 3.44Å; L380-L383 PolarHBondContact O-N 3.28Å; L380-L383 VanDerWaalsContact O-N 3.08Å; L380-T404 PolarHBondContact O-OG1 3.39Å; L380-T404 VanDerWaalsContact O-OG1 3.04Å
381	P	96.5	Very high	97.9	Very high	55 Å²	55	31.8 Å²	31.8	36%	0.357	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.7	-167.4	25.6	-36.2	0	0	0	114.1	N357 H379 R384	N357-P381 HydrophobicContact CB-CG 4.46Å; H379-P381 VanDerWaalsContact C-CD 3.47Å; H379-P381 WeakPolarHBondContact O-CD 3.3Å; P381-R384 PolarHBondContact O-NH1 3.31Å; P381-R384 PolarHBondContact O-NH2 2.79Å; P381-R384 VanDerWaalsContact O-NH2 3.16Å
382	A	97.5	Very high	97.9	Very high	21 Å²	21	28.5 Å²	28.5	17%	0.174	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.6	178.5	0	0	0	0	0	114	N357 L359 Y360 L380 R384	N357-A382 VanDerWaalsContact O-CB 3.23Å; N357-A382 WeakPolarHBondContact O-CB 3.49Å; L359-A382 CarbonylContact O-C 3.48Å; L359-A382 VanDerWaalsContact O-C 3.25Å; Y360-A382 WeakPolarHBondContact CA-O 3.42Å; Y360-A382 WeakPolarHBondContact CD2-O 3.46Å; L380-A382 VanDerWaalsContact C-N 3.25Å; L380-A382 PolarHBondContact O-N 3.2Å; L380-A382 VanDerWaalsContact O-N 3.17Å; A382-R384 PolarHBondContact O-N 2.99Å
383	L	98.4	Very high	97.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.			trans	-67.5	123	-171.2	-172.9	66.6	0	0	0	110.9	L359 L362 W377 L380 F405	L359-L383 HydrophobicContact CG-CD1 4.33Å; L359-L383 WeakPolarHBondContact O-CA 3.22Å; L359-L383 PolarHBondContact O-N 3.33Å; L362-L383 HydrophobicContact CB-CD1 4.13Å; W377-L383 HydrophobicContact CB-CD2 4.35Å; L380-L383 HydrophobicContact CB-CB 3.91Å; L380-L383 HydrophobicContact CB-CD2 4.37Å; L380-L383 HydrophobicContact CD1-CD2 3.98Å; L380-L383 WeakPolarHBondContact O-CB 3.44Å; L380-L383 PolarHBondContact O-N 3.28Å; L380-L383 VanDerWaalsContact O-N 3.08Å; L383-F405 HydrophobicContact CD2-CD2 4.22Å; L383-F405 HydrophobicContact CD2-CE2 3.55Å; L383-F405 HydrophobicContact CD2-CZ 4.31Å; L383-F405 HydrophobicContact CG-CD2 4.46Å; L383-F405 HydrophobicContact CG-CE2 3.82Å; L383-F405 HydrophobicContact CG-CZ 4.2Å
384	R	97.9	Very high	97.9	Very high	29 Å²	29	34.3 Å²	34.3	11%	0.109	17%	0.172	C	C	.	.			trans	-125.5	-30.6	177.8	-63.4	-61.6	173.5	-87.6	-4.8	112.9	Y360 P381 A382 F405 D410 V413	Y360-R384 HydrophobicContact CD2-CB 4.24Å; Y360-R384 HydrophobicContact CD2-CG 3.93Å; Y360-R384 HydrophobicContact CE1-CB 4.25Å; Y360-R384 HydrophobicContact CE2-CB 3.73Å; Y360-R384 HydrophobicContact CE2-CG 3.39Å; Y360-R384 PolarHBondContact O-N 3.49Å; P381-R384 PolarHBondContact O-NH1 3.31Å; P381-R384 PolarHBondContact O-NH2 2.79Å; P381-R384 VanDerWaalsContact O-NH2 3.16Å; A382-R384 PolarHBondContact O-N 2.99Å; R384-F405 WeakPolarHBondContact O-CE1 3.45Å; R384-D410 HydrophobicContact CG-CB 4.3Å; R384-V413 PolarHBondContact O-N 3.34Å; R384-V413 VanDerWaalsContact O-O 3.08Å
385	N	98.5	Very high	97.9	Very high	43 Å²	43	33.4 Å²	33.4	23%	0.23	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111	-177.3	-66.7	-7.5	0	0	0	109.3	Y360 A361 L362 V413	Y360-N385 PolarHBondContact O-N 3.16Å; A361-N385 CarbonylContact C-O 3.34Å; A361-N385 WeakPolarHBondContact CA-O 3.48Å; A361-N385 HydrophobicContact CB-CB 4.08Å; L362-N385 PolarHBondContact N-O 3.38Å; N385-V413 WeakPolarHBondContact CA-O 3.16Å
386	L	98.7	Very high	98	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.5	171.2	178.6	57.4	0	0	0	109.5	L362 W377 L388 F401 F405 V413 L414 Y415	L362-L386 HydrophobicContact CB-CD1 3.93Å; L362-L386 HydrophobicContact CD2-CD1 3.83Å; L362-L386 HydrophobicContact CG-CD1 3.81Å; L362-L386 VanDerWaalsContact O-CA 3.31Å; L362-L386 WeakPolarHBondContact O-CA 3.21Å; L362-L386 WeakPolarHBondContact O-CD1 3.34Å; W377-L386 HydrophobicContact CD2-CD2 3.87Å; W377-L386 HydrophobicContact CE3-CD2 4.13Å; W377-L386 HydrophobicContact CG-CD2 4.24Å; W377-L386 HydrophobicContact CZ2-CD2 4.3Å; W377-L386 HydrophobicContact CZ3-CD2 4.47Å; L386-L388 HydrophobicContact CD1-CD2 3.95Å; L386-L388 HydrophobicContact CD1-CG 4.3Å; L386-L388 HydrophobicContact CD2-CD1 4.12Å; L386-L388 HydrophobicContact CD2-CD2 4.4Å; L386-L388 HydrophobicContact CD2-CG 4.2Å; L386-L388 HydrophobicContact CG-CD1 4.42Å; L386-L388 HydrophobicContact CG-CD2 4.16Å; L386-L388 HydrophobicContact CG-CG 3.97Å; L386-F401 HydrophobicContact CD2-CE1 4.05Å; L386-F405 HydrophobicContact CB-CE2 4.01Å; L386-F405 HydrophobicContact CB-CZ 3.53Å; L386-F405 HydrophobicContact CD2-CE2 4.23Å; L386-F405 HydrophobicContact CD2-CZ 4.5Å; L386-V413 PolarHBondContact N-O 3.08Å; L386-L414 HydrophobicContact CB-CD1 3.82Å; L386-L414 HydrophobicContact CD2-CD1 3.73Å; L386-L414 HydrophobicContact CG-CD1 3.83Å; L386-L414 CarbonylContact O-C 3.4Å; L386-L414 VanDerWaalsContact O-CA 3.27Å; L386-L414 WeakPolarHBondContact O-CA 3.39Å; L386-Y415 PolarHBondContact O-N 3Å
387	D	98.7	Very high	98	Very high	18 Å²	18	30.2 Å²	30.2	10%	0.096	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.7	174.5	-160.2	-23.6	0	0	0	110.6	L362 D363 L364 S365 S389 Y415 K444	L362-D387 PolarHBondContact O-N 3.43Å; D363-D387 HydrophobicContact CB-CB 4.48Å; L364-D387 CarbonylContact C-O 3.33Å; L364-D387 WeakPolarHBondContact CA-O 3.29Å; L364-D387 PolarHBondContact N-O 3.45Å; S365-D387 WeakPolarHBondContact CB-OD1 3.33Å; S365-D387 PolarHBondContact N-O 2.88Å; D387-S389 VanDerWaalsContact OD1-CB 3.26Å; D387-S389 WeakPolarHBondContact OD1-CB 3.27Å; D387-S389 PolarHBondContact OD1-N 3.08Å; D387-S389 PolarHBondContact OD1-OG 2.8Å; D387-Y415 HydrophobicContact CB-CD2 4.4Å; D387-Y415 WeakPolarHBondContact OD1-CB 3.05Å; D387-Y415 WeakPolarHBondContact OD2-CD2 3.07Å; D387-K444 IonicContact OD1-NZ 3.97Å; D387-K444 PolarHBondContact OD1-NZ 3.15Å; D387-K444 VanDerWaalsContact OD2-CE 3.25Å; D387-K444 WeakPolarHBondContact OD2-CE 3.16Å; D387-K444 IonicContact OD2-NZ 2.89Å; D387-K444 PolarHBondContact OD2-NZ 2.81Å
388	L	98.6	Very high	97.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.			trans	-114.5	9.9	174.9	-58.3	177.7	0	0	0	111.3	L364 L369 W377 L386 N391 L393 L414 Y415 V416 N419	L364-L388 HydrophobicContact CB-CD2 4.11Å; L364-L388 HydrophobicContact CD1-CD2 4.07Å; L369-L388 HydrophobicContact CD1-CD2 4.4Å; W377-L388 HydrophobicContact CH2-CD1 3.65Å; W377-L388 HydrophobicContact CH2-CD2 3.79Å; W377-L388 HydrophobicContact CH2-CG 4.38Å; W377-L388 HydrophobicContact CZ2-CD1 4.3Å; W377-L388 HydrophobicContact CZ2-CD2 3.68Å; W377-L388 HydrophobicContact CZ3-CD1 4.05Å; L386-L388 HydrophobicContact CD1-CD2 3.95Å; L386-L388 HydrophobicContact CD1-CG 4.3Å; L386-L388 HydrophobicContact CD2-CD1 4.12Å; L386-L388 HydrophobicContact CD2-CD2 4.4Å; L386-L388 HydrophobicContact CD2-CG 4.2Å; L386-L388 HydrophobicContact CG-CD1 4.42Å; L386-L388 HydrophobicContact CG-CD2 4.16Å; L386-L388 HydrophobicContact CG-CG 3.97Å; L388-N391 PolarHBondContact O-ND2 3.01Å; L388-L393 HydrophobicContact CB-CD1 4.35Å; L388-L393 HydrophobicContact CD1-CD1 4.26Å; L388-L414 HydrophobicContact CD1-CD1 4.39Å; L388-Y415 CarbonylContact C-O 3.39Å; L388-Y415 WeakPolarHBondContact CA-O 2.99Å; L388-Y415 PolarHBondContact N-O 2.82Å; L388-V416 HydrophobicContact CB-CG1 4.32Å; L388-V416 HydrophobicContact CD1-CG1 4.3Å; L388-N419 PolarHBondContact O-ND2 3.15Å
389	S	98.2	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.			trans	-64.4	153.3	-175	60.8	0	0	0	0	112.5	S365 N366 D387 N391 Y415 C417 K444	S365-S389 CarbonylContact C-O 3.47Å; S365-S389 WeakPolarHBondContact CA-O 3.33Å; S365-S389 WeakPolarHBondContact CB-O 3.41Å; N366-S389 PolarHBondContact N-O 3.05Å; D387-S389 VanDerWaalsContact OD1-CB 3.26Å; D387-S389 WeakPolarHBondContact OD1-CB 3.27Å; D387-S389 PolarHBondContact OD1-N 3.08Å; D387-S389 PolarHBondContact OD1-OG 2.8Å; S389-N391 PolarHBondContact O-ND2 3.4Å; S389-Y415 PolarHBondContact N-O 3.37Å; S389-C417 WeakPolarHBondContact CA-O 3.16Å; S389-C417 WeakPolarHBondContact CB-O 3.31Å; S389-K444 PolarHBondContact OG-NZ 3.07Å
390	N	98.2	Very high	98.1	Very high	53 Å²	53	29.6 Å²	29.6	28%	0.283	16%	0.164	S	C	.	.	S	Bend	trans	58.1	56.2	-179.4	-50.4	-67.7	0	0	0	112.7	N366 C417 N418	N366-N390 VanDerWaalsContact CA-O 3.22Å; N366-N390 WeakPolarHBondContact CA-O 3.41Å; N366-N390 HydrophobicContact CB-CB 4.43Å; N366-N390 PolarHBondContact N-O 3.49Å; N366-N390 PolarHBondContact OD1-ND2 3.19Å; N366-N390 VanDerWaalsContact OD1-ND2 3.09Å; N390-C417 PolarHBondContact N-O 3.44Å; N390-C417 VanDerWaalsContact N-O 3.15Å; N390-N418 WeakPolarHBondContact CA-O 3.43Å; N390-N418 HydrophobicContact CB-CB 4.5Å; N390-N418 PolarHBondContact N-O 2.86Å; N390-N418 VanDerWaalsContact OD1-CB 3.27Å; N390-N418 WeakPolarHBondContact OD1-CB 3.18Å; N390-N418 PolarHBondContact OD1-ND2 3.36Å
391	N	98.7	Very high	98	Very high	16 Å²	16	30 Å²	30	9%	0.086	17%	0.166	C	C	.	.	S	Bend	trans	-128.6	-170.8	175.4	-85.9	-74.9	0	0	0	109.8	L364 N367 L369 L388 S389 L393 N418 N419	L364-N391 PolarHBondContact O-ND2 2.98Å; N367-N391 VanDerWaalsContact CA-OD1 3.31Å; N367-N391 WeakPolarHBondContact CA-OD1 3.47Å; N367-N391 WeakPolarHBondContact CB-OD1 3.24Å; N367-N391 PolarHBondContact N-OD1 3.08Å; N367-N391 PolarHBondContact O-OD1 2.75Å; N367-N391 VanDerWaalsContact O-OD1 3.1Å; L369-N391 HydrophobicContact CB-CB 4.09Å; L369-N391 VanDerWaalsContact CB-OD1 3.25Å; L369-N391 WeakPolarHBondContact CB-OD1 3.31Å; L369-N391 VanDerWaalsContact CG-OD1 3.25Å; L369-N391 WeakPolarHBondContact CG-OD1 3.42Å; L369-N391 PolarHBondContact N-OD1 3.31Å; L388-N391 PolarHBondContact O-ND2 3.01Å; S389-N391 PolarHBondContact O-ND2 3.4Å; N391-L393 HydrophobicContact CB-CG 4.35Å; N391-N418 PolarHBondContact N-O 3.43Å; N391-N419 WeakPolarHBondContact CA-OD1 3.43Å; N391-N419 WeakPolarHBondContact CB-OD1 3.44Å; N391-N419 PolarHBondContact O-OD1 3.31Å
392	A	98.5	Very high	98.1	Very high	31 Å²	31	30.8 Å²	30.8	26%	0.256	17%	0.167	S	C	.	.			trans	-114.2	26.7	-179.2	0	0	0	0	0	112.7	L369 R370 N419	L369-A392 CarbonylContact O-C 3.01Å; L369-A392 WeakPolarHBondContact O-CA 3.49Å; L369-A392 WeakPolarHBondContact O-CB 3.28Å; L369-A392 PolarHBondContact O-N 3.09Å; R370-A392 HydrophobicContact CG-CB 3.64Å; A392-N419 PolarHBondContact N-OD1 3.44Å
393	L	98.6	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.			trans	-71.9	129.8	-177.3	-62.1	171.8	0	0	0	111.2	L369 V372 L388 N391 L396 N419 P420 W421	L369-L393 HydrophobicContact CB-CD2 3.99Å; L369-L393 HydrophobicContact CB-CG 4.24Å; L369-L393 PolarHBondContact O-N 3.1Å; L369-L393 VanDerWaalsContact O-N 3.07Å; V372-L393 HydrophobicContact CG2-CD1 4.41Å; V372-L393 HydrophobicContact CG2-CD2 3.69Å; L388-L393 HydrophobicContact CB-CD1 4.35Å; L388-L393 HydrophobicContact CD1-CD1 4.26Å; N391-L393 HydrophobicContact CB-CG 4.35Å; L393-L396 HydrophobicContact CD1-CD2 4.48Å; L393-N419 HydrophobicContact CB-CB 4.36Å; L393-N419 VanDerWaalsContact CB-OD1 3.3Å; L393-N419 WeakPolarHBondContact CB-OD1 3.43Å; L393-N419 PolarHBondContact N-OD1 2.77Å; L393-P420 CarbonylContact O-C 3.59Å; L393-P420 VanDerWaalsContact O-C 3.31Å; L393-P420 WeakPolarHBondContact O-CD 3.27Å; L393-P420 WeakPolarHBondContact O-CG 3.3Å; L393-W421 HydrophobicContact CB-CE3 4.46Å; L393-W421 HydrophobicContact CB-CH2 3.61Å; L393-W421 HydrophobicContact CB-CZ2 4.26Å; L393-W421 HydrophobicContact CB-CZ3 3.73Å; L393-W421 HydrophobicContact CD1-CH2 3.82Å; L393-W421 HydrophobicContact CD1-CZ2 4.43Å; L393-W421 HydrophobicContact CG-CH2 4.37Å
394	R	98.3	Very high	97.9	Very high	173 Å²	173	34.3 Å²	34.3	65%	0.653	18%	0.183	S	C	*	.			trans	-101.1	-33.5	173.3	-65.2	-173.5	173.1	-170.8	-2.9	112.5	P420 A422	R394-P420 WeakPolarHBondContact CA-O 3.07Å; R394-P420 HydrophobicContact CG-CG 4.1Å; R394-A422 HydrophobicContact CB-CB 4.36Å; R394-A422 PolarHBondContact O-N 3.02Å
395	T	98	Very high	97.8	Very high	46 Å²	46	33 Å²	33	28%	0.282	18%	0.178	S	C	.	.			trans	-149.4	171.1	-178.2	-168.4	0	0	0	0	111.2
396	L	98.2	Very high	97.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.187	C	C	.	.			trans	-133.5	142.7	171.5	-69.2	175.7	0	0	0	109	V372 W377 L393 T400 F401 W421 W429 F430	V372-L396 HydrophobicContact CB-CD2 3.8Å; V372-L396 HydrophobicContact CG1-CD2 4.07Å; V372-L396 HydrophobicContact CG2-CD2 3.7Å; W377-L396 HydrophobicContact CZ3-CD2 4.31Å; L393-L396 HydrophobicContact CD1-CD2 4.48Å; L396-T400 HydrophobicContact CD1-CG2 4.48Å; L396-T400 HydrophobicContact CD2-CG2 4.44Å; L396-F401 HydrophobicContact CD1-CE2 3.94Å; L396-F401 HydrophobicContact CD1-CZ 4.15Å; L396-W421 HydrophobicContact CD1-CH2 4.04Å; L396-W421 HydrophobicContact CD1-CZ3 4.31Å; L396-W421 HydrophobicContact CD2-CH2 4.48Å; L396-W421 HydrophobicContact CG-CH2 4.02Å; L396-W421 HydrophobicContact CG-CZ3 3.92Å; L396-W429 HydrophobicContact CB-CZ2 3.72Å; L396-W429 WeakPolarHBondContact O-CZ2 3.11Å; L396-W429 PolarHBondContact O-NE1 2.92Å; L396-F430 HydrophobicContact CD1-CD1 4.12Å; L396-F430 HydrophobicContact CD1-CD2 4.32Å; L396-F430 HydrophobicContact CD1-CE1 3.93Å; L396-F430 HydrophobicContact CD1-CE2 4.18Å; L396-F430 HydrophobicContact CD1-CG 4.31Å; L396-F430 HydrophobicContact CD1-CZ 3.98Å
397	P	97.9	Very high	97.4	Very high	33 Å²	33	41.7 Å²	41.7	21%	0.214	22%	0.217	C	C	.	.			trans	-73.2	152.1	174.7	-22.5	34.7	0	0	0	114.3	V372 D374 G399 T400 W429	V372-P397 WeakPolarHBondContact O-CD 3.43Å; V372-P397 VanDerWaalsContact O-CG 3.24Å; V372-P397 WeakPolarHBondContact O-CG 3.13Å; D374-P397 HydrophobicContact CB-CB 3.82Å; D374-P397 HydrophobicContact CB-CG 4.35Å; D374-P397 WeakPolarHBondContact OD1-CB 3.17Å; P397-G399 VanDerWaalsContact C-N 3.34Å; P397-G399 PolarHBondContact O-N 3.04Å; P397-T400 WeakPolarHBondContact CD-OG1 3.46Å; P397-T400 WeakPolarHBondContact O-CB 3.29Å; P397-T400 PolarHBondContact O-N 3.08Å; P397-T400 VanDerWaalsContact O-N 3.08Å; P397-T400 PolarHBondContact O-OG1 3.01Å; P397-W429 VanDerWaalsContact C-CZ2 3.44Å; P397-W429 WeakPolarHBondContact O-CH2 3.4Å; P397-W429 WeakPolarHBondContact O-CZ2 3.49Å
398	P	97.2	Very high	97	Very high	91 Å²	91	43.4 Å²	43.4	59%	0.591	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.7	-174.4	-27.1	35.5	0	0	0	117	T400 W429	P398-T400 VanDerWaalsContact C-N 3.28Å; P398-T400 PolarHBondContact O-N 2.97Å; P398-W429 HydrophobicContact CB-CD2 4.24Å; P398-W429 HydrophobicContact CB-CG 4.28Å; P398-W429 HydrophobicContact CG-CG 4.18Å
399	G	97.1	Very high	96.6	Very high	8 Å²	8	54.6 Å²	54.6	8%	0.082	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-2.1	179.5	0	0	0	0	0	114.3	D374 F375 P397 F401 N402	D374-G399 WeakPolarHBondContact OD1-CA 3.34Å; D374-G399 PolarHBondContact OD1-N 3.17Å; F375-G399 WeakPolarHBondContact CD1-O 3.45Å; P397-G399 VanDerWaalsContact C-N 3.34Å; P397-G399 PolarHBondContact O-N 3.04Å; G399-F401 PolarHBondContact O-N 2.97Å; G399-F401 VanDerWaalsContact O-N 3.1Å; G399-N402 WeakPolarHBondContact O-CB 3.26Å; G399-N402 PolarHBondContact O-N 2.8Å; G399-N402 VanDerWaalsContact O-N 3.1Å
400	T	97.9	Very high	96.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-41.7	-175.6	-66.5	0	0	0	0	113.5	V372 W377 L396 P397 P398	V372-T400 HydrophobicContact CG1-CG2 4.42Å; W377-T400 CarbonylContact C-O 3.55Å; W377-T400 HydrophobicContact CE3-CG2 3.3Å; W377-T400 HydrophobicContact CZ3-CG2 3.43Å; W377-T400 VanDerWaalsContact CZ3-CG2 3.43Å; W377-T400 PolarHBondContact N-O 2.81Å; L396-T400 HydrophobicContact CD1-CG2 4.48Å; L396-T400 HydrophobicContact CD2-CG2 4.44Å; P397-T400 WeakPolarHBondContact CD-OG1 3.46Å; P397-T400 WeakPolarHBondContact O-CB 3.29Å; P397-T400 PolarHBondContact O-N 3.08Å; P397-T400 VanDerWaalsContact O-N 3.08Å; P397-T400 PolarHBondContact O-OG1 3.01Å; P398-T400 VanDerWaalsContact C-N 3.28Å; P398-T400 PolarHBondContact O-N 2.97Å
401	F	97.4	Very high	96.2	Very high	11 Å²	11	58.2 Å²	58.2	5%	0.048	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	25.8	-176.6	-58	-66	0	0	0	113.9	W377 L386 L396 G399 D403 T404 F405 L414 W429 F430 W433	W377-F401 HydrophobicContact CE3-CE1 4.02Å; W377-F401 HydrophobicContact CE3-CZ 4.41Å; L386-F401 HydrophobicContact CD2-CE1 4.05Å; L396-F401 HydrophobicContact CD1-CE2 3.94Å; L396-F401 HydrophobicContact CD1-CZ 4.15Å; G399-F401 PolarHBondContact O-N 2.97Å; G399-F401 VanDerWaalsContact O-N 3.1Å; F401-D403 PolarHBondContact O-N 2.99Å; F401-T404 HydrophobicContact CB-CG2 3.88Å; F401-T404 HydrophobicContact CD1-CG2 4.17Å; F401-T404 VanDerWaalsContact O-CG2 3.27Å; F401-T404 WeakPolarHBondContact O-CG2 3.21Å; F401-F405 AromaticContact CD1-CD2 3.93Å; F401-F405 HydrophobicContact CD1-CD2 3.93Å; F401-F405 HydrophobicContact CD1-CE2 4.22Å; F401-F405 HydrophobicContact CE1-CD2 4.36Å; F401-F405 HydrophobicContact CE1-CE2 4.21Å; F401-L414 HydrophobicContact CE1-CD1 4.34Å; F401-L414 HydrophobicContact CE1-CD2 4.16Å; F401-L414 HydrophobicContact CE2-CD2 4.17Å; F401-L414 HydrophobicContact CZ-CD1 4.21Å; F401-L414 HydrophobicContact CZ-CD2 3.7Å; F401-W429 AromaticContact CD2-CH2 3.83Å; F401-W429 HydrophobicContact CD2-CH2 3.83Å; F401-W429 HydrophobicContact CD2-CZ3 4.26Å; F401-W429 HydrophobicContact CE2-CH2 4.2Å; F401-F430 HydrophobicContact CD2-CD2 4.34Å; F401-F430 HydrophobicContact CD2-CE2 4.18Å; F401-F430 AromaticContact CE2-CD2 3.85Å; F401-F430 HydrophobicContact CE2-CD2 3.85Å; F401-F430 AromaticContact CE2-CE2 3.43Å; F401-F430 HydrophobicContact CE2-CE2 3.43Å; F401-F430 VanDerWaalsContact CE2-CE2 3.43Å; F401-F430 HydrophobicContact CE2-CZ 4.26Å; F401-F430 HydrophobicContact CZ-CE2 4.2Å; F401-W433 HydrophobicContact CB-CH2 4.33Å; F401-W433 HydrophobicContact CB-CZ2 3.86Å; F401-W433 HydrophobicContact CD1-CH2 4.5Å; F401-W433 HydrophobicContact CD2-CD2 4.49Å; F401-W433 HydrophobicContact CD2-CE3 4.29Å; F401-W433 HydrophobicContact CD2-CH2 4.08Å; F401-W433 HydrophobicContact CD2-CZ2 4.3Å; F401-W433 HydrophobicContact CD2-CZ3 4.08Å; F401-W433 HydrophobicContact CE2-CZ3 4.32Å; F401-W433 HydrophobicContact CG-CH2 4.05Å; F401-W433 HydrophobicContact CG-CZ2 4.08Å
402	N	96.9	Very high	96.1	Very high	71 Å²	71	57.6 Å²	57.6	38%	0.38	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	131.5	179.3	-166	34.4	0	0	0	112	F375 A378 H379 G399 T404	F375-N402 HydrophobicContact CD1-CB 4.27Å; F375-N402 HydrophobicContact CE1-CB 4.4Å; A378-N402 CarbonylContact C-O 3.59Å; A378-N402 WeakPolarHBondContact CA-O 3.44Å; A378-N402 HydrophobicContact CB-CB 4.12Å; A378-N402 WeakPolarHBondContact CB-O 3.19Å; H379-N402 PolarHBondContact N-O 3.07Å; G399-N402 WeakPolarHBondContact O-CB 3.26Å; G399-N402 PolarHBondContact O-N 2.8Å; G399-N402 VanDerWaalsContact O-N 3.1Å; N402-T404 PolarHBondContact O-N 2.86Å; N402-T404 VanDerWaalsContact O-N 3.12Å
403	D	95.9	Very high	96.1	Very high	87 Å²	87	57 Å²	57	47%	0.465	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	35.1	-178.1	-60.4	-40.7	0	0	0	114.9	H379 F401	H379-D403 IonicContact CE1-OD2 3.71Å; H379-D403 PolarHBondContact CE1-OD2 2.94Å; H379-D403 WeakPolarHBondContact ND1-CB 3.45Å; H379-D403 IonicContact ND1-OD2 3.94Å; H379-D403 PolarHBondContact ND1-OD2 2.94Å; H379-D403 VanDerWaalsContact ND1-OD2 3.15Å; F401-D403 PolarHBondContact O-N 2.99Å
404	T	97	Very high	96.1	Very high	7 Å²	7	57 Å²	57	4%	0.043	30%	0.299	C	S	.	.			trans	-136.5	175	174.5	-175.6	0	0	0	0	109.8	W377 L380 F401 N402 L406	W377-T404 VanDerWaalsContact O-CB 3.31Å; W377-T404 WeakPolarHBondContact O-CB 3.35Å; W377-T404 WeakPolarHBondContact O-CG2 3.14Å; L380-T404 PolarHBondContact O-OG1 3.39Å; L380-T404 VanDerWaalsContact O-OG1 3.04Å; F401-T404 HydrophobicContact CB-CG2 3.88Å; F401-T404 HydrophobicContact CD1-CG2 4.17Å; F401-T404 VanDerWaalsContact O-CG2 3.27Å; F401-T404 WeakPolarHBondContact O-CG2 3.21Å; N402-T404 PolarHBondContact O-N 2.86Å; N402-T404 VanDerWaalsContact O-N 3.12Å; T404-L406 PolarHBondContact O-N 3.34Å
405	F	96.4	Very high	96.1	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.009	28%	0.28	C	S	.	.	S	Bend	trans	51	33.4	-177.4	-84.7	-92.4	0	0	0	112.5	L383 R384 L386 F401 R412 L414 W433 I440	L383-F405 HydrophobicContact CD2-CD2 4.22Å; L383-F405 HydrophobicContact CD2-CE2 3.55Å; L383-F405 HydrophobicContact CD2-CZ 4.31Å; L383-F405 HydrophobicContact CG-CD2 4.46Å; L383-F405 HydrophobicContact CG-CE2 3.82Å; L383-F405 HydrophobicContact CG-CZ 4.2Å; R384-F405 WeakPolarHBondContact O-CE1 3.45Å; L386-F405 HydrophobicContact CB-CE2 4.01Å; L386-F405 HydrophobicContact CB-CZ 3.53Å; L386-F405 HydrophobicContact CD2-CE2 4.23Å; L386-F405 HydrophobicContact CD2-CZ 4.5Å; F401-F405 AromaticContact CD1-CD2 3.93Å; F401-F405 HydrophobicContact CD1-CD2 3.93Å; F401-F405 HydrophobicContact CD1-CE2 4.22Å; F401-F405 HydrophobicContact CE1-CD2 4.36Å; F401-F405 HydrophobicContact CE1-CE2 4.21Å; F405-R412 HydrophobicContact CD1-CB 4.41Å; F405-R412 WeakPolarHBondContact O-CD 3.34Å; F405-R412 PolarHBondContact O-NH1 3.07Å; F405-L414 HydrophobicContact CE1-CB 4.17Å; F405-L414 HydrophobicContact CZ-CB 4.4Å; F405-L414 HydrophobicContact CZ-CD1 4.41Å; F405-W433 HydrophobicContact CB-CH2 4.31Å; F405-W433 HydrophobicContact CB-CZ2 4.2Å; F405-W433 HydrophobicContact CG-CH2 4.46Å; F405-I440 HydrophobicContact CD1-CD1 4.34Å
406	L	94.3	Very high	96.1	Very high	82 Å²	82	49.5 Å²	49.5	43%	0.429	27%	0.266	S	S	.	.			trans	-63.1	145.3	-174.7	-58.9	176.7	0	0	0	111.2	T404 G408	T404-L406 PolarHBondContact O-N 3.34Å; L406-G408 PolarHBondContact O-N 2.8Å
407	K	93.1	Very high	96.1	Very high	144 Å²	144	49.4 Å²	49.4	63%	0.626	27%	0.266	S	S	*	.			trans	-60.8	135	175.1	-73.6	-176.3	177.2	-177.7	0	110.1
408	G	90.4	Very high	96.1	Very high	55 Å²	55	52.3 Å²	52.3	57%	0.567	28%	0.28	S	S	*	.			trans	-157.1	-162.1	-177.7	0	0	0	0	0	111.5	L406	L406-G408 PolarHBondContact O-N 2.8Å
409	R	90.3	Very high	96.1	Very high	235 Å²	235	48.5 Å²	48.5	89%	0.887	25%	0.254	S	S	*	.	S	Bend	trans	-78.6	-33.2	174.9	-68.3	-175.2	179	-172.4	-0.1	112.4
410	D	92.7	Very high	96.2	Very high	63 Å²	63	50 Å²	50	34%	0.337	26%	0.263	S	S	.	.	S	Bend	trans	-74	147.3	-176.3	-52.1	-34.4	0	0	0	111.9	R384	R384-D410 HydrophobicContact CG-CB 4.3Å
411	A	95.1	Very high	96.2	Very high	66 Å²	66	50 Å²	50	55%	0.545	26%	0.263	S	S	.	.			trans	-62.4	140	170.3	0	0	0	0	0	110.6
412	R	97.5	Very high	96.2	Very high	3 Å²	3	50 Å²	50	1%	0.011	26%	0.264	C	S	.	.			trans	-106.3	125.9	178.4	-59.7	-173.4	-67.5	162.1	3.6	109	F405 N437 D439 I440 I441	F405-R412 HydrophobicContact CD1-CB 4.41Å; F405-R412 WeakPolarHBondContact O-CD 3.34Å; F405-R412 PolarHBondContact O-NH1 3.07Å; R412-N437 PolarHBondContact NH1-OD1 3Å; R412-N437 PolarHBondContact NH2-OD1 2.95Å; R412-D439 IonicContact CZ-OD1 3.91Å; R412-D439 IonicContact CZ-OD2 3.39Å; R412-D439 IonicContact NE-OD2 2.74Å; R412-D439 PolarHBondContact NE-OD2 2.87Å; R412-D439 IonicContact NH2-OD1 3.04Å; R412-D439 PolarHBondContact NH2-OD1 3.35Å; R412-D439 IonicContact NH2-OD2 3.3Å; R412-D439 PolarHBondContact NH2-OD2 3.31Å; R412-I440 HydrophobicContact CB-CB 4.49Å; R412-I440 HydrophobicContact CB-CG1 3.83Å; R412-I440 CarbonylContact O-C 3.54Å; R412-I440 WeakPolarHBondContact O-CA 3.45Å; R412-I441 PolarHBondContact O-N 3.31Å
413	V	98	Very high	96.2	Very high	17 Å²	17	46.8 Å²	46.8	10%	0.103	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.7	-174.8	-175.4	0	0	0	0	109.8	R384 N385 L386 Y415 I441	R384-V413 PolarHBondContact O-N 3.34Å; R384-V413 VanDerWaalsContact O-O 3.08Å; N385-V413 WeakPolarHBondContact CA-O 3.16Å; L386-V413 PolarHBondContact N-O 3.08Å; V413-Y415 HydrophobicContact CG1-CD1 3.93Å; V413-Y415 HydrophobicContact CG1-CD2 3.76Å; V413-Y415 HydrophobicContact CG1-CE1 3.53Å; V413-Y415 HydrophobicContact CG1-CE2 3.39Å; V413-Y415 HydrophobicContact CG1-CG 4.04Å; V413-I441 WeakPolarHBondContact CA-O 3.27Å; V413-I441 HydrophobicContact CG2-CB 4.41Å; V413-I441 HydrophobicContact CG2-CD1 4.48Å
414	L	98.3	Very high	96.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	83.7	177.8	176.1	58.5	0	0	0	109.6	L386 L388 F401 F405 V416 F430 W433 I440 I441 I442	L386-L414 HydrophobicContact CB-CD1 3.82Å; L386-L414 HydrophobicContact CD2-CD1 3.73Å; L386-L414 HydrophobicContact CG-CD1 3.83Å; L386-L414 CarbonylContact O-C 3.4Å; L386-L414 VanDerWaalsContact O-CA 3.27Å; L386-L414 WeakPolarHBondContact O-CA 3.39Å; L388-L414 HydrophobicContact CD1-CD1 4.39Å; F401-L414 HydrophobicContact CE1-CD1 4.34Å; F401-L414 HydrophobicContact CE1-CD2 4.16Å; F401-L414 HydrophobicContact CE2-CD2 4.17Å; F401-L414 HydrophobicContact CZ-CD1 4.21Å; F401-L414 HydrophobicContact CZ-CD2 3.7Å; F405-L414 HydrophobicContact CE1-CB 4.17Å; F405-L414 HydrophobicContact CZ-CB 4.4Å; F405-L414 HydrophobicContact CZ-CD1 4.41Å; L414-V416 HydrophobicContact CD1-CG1 4.03Å; L414-V416 HydrophobicContact CG-CG1 3.9Å; L414-V416 PolarHBondContact O-N 2.92Å; L414-F430 HydrophobicContact CD2-CE2 3.98Å; L414-F430 HydrophobicContact CD2-CZ 3.99Å; L414-W433 HydrophobicContact CD2-CH2 4.21Å; L414-W433 HydrophobicContact CD2-CZ3 3.78Å; L414-I440 HydrophobicContact CB-CG2 3.66Å; L414-I441 PolarHBondContact N-O 2.75Å; L414-I442 HydrophobicContact CB-CG2 4.44Å; L414-I442 WeakPolarHBondContact O-CA 3.14Å; L414-I442 WeakPolarHBondContact O-CB 3.44Å; L414-I442 WeakPolarHBondContact O-CG2 3.28Å
415	Y	98.5	Very high	96	Very high	62 Å²	62	54.5 Å²	54.5	24%	0.243	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	119.2	-179.7	-63.1	-48	0	0	0	111	L386 D387 L388 S389 V413 I441 D443 K444	L386-Y415 PolarHBondContact O-N 3Å; D387-Y415 HydrophobicContact CB-CD2 4.4Å; D387-Y415 WeakPolarHBondContact OD1-CB 3.05Å; D387-Y415 WeakPolarHBondContact OD2-CD2 3.07Å; L388-Y415 CarbonylContact C-O 3.39Å; L388-Y415 WeakPolarHBondContact CA-O 2.99Å; L388-Y415 PolarHBondContact N-O 2.82Å; S389-Y415 PolarHBondContact N-O 3.37Å; V413-Y415 HydrophobicContact CG1-CD1 3.93Å; V413-Y415 HydrophobicContact CG1-CD2 3.76Å; V413-Y415 HydrophobicContact CG1-CE1 3.53Å; V413-Y415 HydrophobicContact CG1-CE2 3.39Å; V413-Y415 HydrophobicContact CG1-CG 4.04Å; Y415-I441 HydrophobicContact CE1-CG2 4.08Å; Y415-D443 VanDerWaalsContact CE1-O 3.24Å; Y415-D443 WeakPolarHBondContact CE1-O 3.41Å; Y415-K444 HydrophobicContact CD1-CD 4.39Å; Y415-K444 HydrophobicContact CD1-CG 3.53Å; Y415-K444 HydrophobicContact CD2-CD 4.19Å; Y415-K444 HydrophobicContact CD2-CG 4.06Å; Y415-K444 HydrophobicContact CE1-CB 4.48Å; Y415-K444 HydrophobicContact CE1-CG 3.48Å; Y415-K444 VanDerWaalsContact CE1-CG 3.48Å; Y415-K444 HydrophobicContact CE2-CD 4.33Å; Y415-K444 HydrophobicContact CE2-CG 3.98Å; Y415-K444 HydrophobicContact CG-CD 4.19Å; Y415-K444 HydrophobicContact CG-CG 3.83Å
416	V	98.1	Very high	96	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.312	C	S	.	.			trans	-130.2	8.9	-175.8	-74.8	0	0	0	0	113	L388 L414 N419 W421 F430 I442 A449 L462	L388-V416 HydrophobicContact CB-CG1 4.32Å; L388-V416 HydrophobicContact CD1-CG1 4.3Å; L414-V416 HydrophobicContact CD1-CG1 4.03Å; L414-V416 HydrophobicContact CG-CG1 3.9Å; L414-V416 PolarHBondContact O-N 2.92Å; V416-N419 PolarHBondContact O-ND2 3.34Å; V416-W421 HydrophobicContact CB-CZ2 3.76Å; V416-W421 HydrophobicContact CG1-CZ2 4.01Å; V416-W421 PolarHBondContact O-NE1 2.88Å; V416-F430 HydrophobicContact CG1-CZ 4.31Å; V416-I442 HydrophobicContact CG2-CB 4.07Å; V416-I442 HydrophobicContact CG2-CG2 4.45Å; V416-I442 PolarHBondContact N-O 3.18Å; V416-A449 HydrophobicContact CG2-CB 3.82Å; V416-L462 HydrophobicContact CG2-CD2 3.99Å
417	C	97.5	Very high	96.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.			trans	-62.9	162.2	176.4	63.1	0	0	0	0	112.9	S389 N390 N419 C447 Y448	S389-C417 WeakPolarHBondContact CA-O 3.16Å; S389-C417 WeakPolarHBondContact CB-O 3.31Å; N390-C417 PolarHBondContact N-O 3.44Å; N390-C417 VanDerWaalsContact N-O 3.15Å; C417-N419 PolarHBondContact O-N 3.12Å; C417-N419 PolarHBondContact O-ND2 2.95Å; C417-C447 HydrophobicContact CB-CB 3.96Å; C417-C447 WeakPolarHBondContact CB-O 3.26Å; C417-C447 WeakPolarHBondContact CB-SG 3.19Å; C417-C447 WeakPolarHBondContact SG-CB 3.22Å; C417-C447 CovalentContact SG-SG 2.04Å; C417-C447 PolarHBondContact SG-SG 3.23Å; C417-Y448 VanDerWaalsContact CB-O 3.29Å; C417-Y448 WeakPolarHBondContact CB-O 3.44Å
418	N	97.5	Very high	96.3	Very high	94 Å²	94	52.2 Å²	52.2	50%	0.503	27%	0.272	S	S	.	.	S	Bend	trans	53.4	48.1	-178.1	-64.9	-12.7	0	0	0	113.8	N390 N391	N390-N418 WeakPolarHBondContact CA-O 3.43Å; N390-N418 HydrophobicContact CB-CB 4.5Å; N390-N418 PolarHBondContact N-O 2.86Å; N390-N418 VanDerWaalsContact OD1-CB 3.27Å; N390-N418 WeakPolarHBondContact OD1-CB 3.18Å; N390-N418 PolarHBondContact OD1-ND2 3.36Å; N391-N418 PolarHBondContact N-O 3.43Å
419	N	98.5	Very high	96.6	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.059	26%	0.255	C	S	.	.	S	Bend	trans	-126.6	145.3	168	-83.7	-82	0	0	0	109	L388 N391 A392 L393 V416 C417 W421	L388-N419 PolarHBondContact O-ND2 3.15Å; N391-N419 WeakPolarHBondContact CA-OD1 3.43Å; N391-N419 WeakPolarHBondContact CB-OD1 3.44Å; N391-N419 PolarHBondContact O-OD1 3.31Å; A392-N419 PolarHBondContact N-OD1 3.44Å; L393-N419 HydrophobicContact CB-CB 4.36Å; L393-N419 VanDerWaalsContact CB-OD1 3.3Å; L393-N419 WeakPolarHBondContact CB-OD1 3.43Å; L393-N419 PolarHBondContact N-OD1 2.77Å; V416-N419 PolarHBondContact O-ND2 3.34Å; C417-N419 PolarHBondContact O-N 3.12Å; C417-N419 PolarHBondContact O-ND2 2.95Å; N419-W421 HydrophobicContact CB-CD2 4.04Å; N419-W421 VanDerWaalsContact CB-CE2 3.45Å; N419-W421 HydrophobicContact CB-CG 4.27Å; N419-W421 HydrophobicContact CB-CZ2 3.74Å; N419-W421 PolarHBondContact O-N 2.85Å
420	P	98	Very high	96.9	Very high	40 Å²	40	41 Å²	41	26%	0.26	21%	0.212	S	C	.	.			trans	-76.4	56.1	178.7	34.1	-37.9	0	0	0	112.4	L393 R394 A422 R452	L393-P420 CarbonylContact O-C 3.59Å; L393-P420 VanDerWaalsContact O-C 3.31Å; L393-P420 WeakPolarHBondContact O-CD 3.27Å; L393-P420 WeakPolarHBondContact O-CG 3.3Å; R394-P420 WeakPolarHBondContact CA-O 3.07Å; R394-P420 HydrophobicContact CG-CG 4.1Å; P420-A422 PolarHBondContact O-N 2.99Å; P420-R452 HydrophobicContact CB-CB 4.27Å; P420-R452 HydrophobicContact CB-CG 4.06Å
421	W	98.3	Very high	97.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	122.4	-176.9	-65	117.6	0	0	0	112.5	L393 L396 V416 N419 L427 R452 S453 L462	L393-W421 HydrophobicContact CB-CE3 4.46Å; L393-W421 HydrophobicContact CB-CH2 3.61Å; L393-W421 HydrophobicContact CB-CZ2 4.26Å; L393-W421 HydrophobicContact CB-CZ3 3.73Å; L393-W421 HydrophobicContact CD1-CH2 3.82Å; L393-W421 HydrophobicContact CD1-CZ2 4.43Å; L393-W421 HydrophobicContact CG-CH2 4.37Å; L396-W421 HydrophobicContact CD1-CH2 4.04Å; L396-W421 HydrophobicContact CD1-CZ3 4.31Å; L396-W421 HydrophobicContact CD2-CH2 4.48Å; L396-W421 HydrophobicContact CG-CH2 4.02Å; L396-W421 HydrophobicContact CG-CZ3 3.92Å; V416-W421 HydrophobicContact CB-CZ2 3.76Å; V416-W421 HydrophobicContact CG1-CZ2 4.01Å; V416-W421 PolarHBondContact O-NE1 2.88Å; N419-W421 HydrophobicContact CB-CD2 4.04Å; N419-W421 VanDerWaalsContact CB-CE2 3.45Å; N419-W421 HydrophobicContact CB-CG 4.27Å; N419-W421 HydrophobicContact CB-CZ2 3.74Å; N419-W421 PolarHBondContact O-N 2.85Å; W421-L427 HydrophobicContact CB-CD2 3.9Å; W421-L427 HydrophobicContact CD2-CD2 4.36Å; W421-L427 HydrophobicContact CE3-CD1 4.23Å; W421-L427 HydrophobicContact CE3-CD2 3.88Å; W421-L427 HydrophobicContact CG-CD2 4.41Å; W421-L427 HydrophobicContact CZ3-CD1 4.46Å; W421-R452 PolarHBondContact O-N 2.94Å; W421-S453 PolarHBondContact O-N 3.22Å; W421-L462 HydrophobicContact CB-CD1 4.04Å; W421-L462 HydrophobicContact CD2-CD2 4.24Å; W421-L462 HydrophobicContact CG-CD1 4.05Å; W421-L462 HydrophobicContact CG-CD2 4.1Å
422	A	97.9	Very high	97.2	Very high	10 Å²	10	37 Å²	37	8%	0.083	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	97.6	171.7	0	0	0	0	0	108.9	R394 P420 D424 L427 S453	R394-A422 HydrophobicContact CB-CB 4.36Å; R394-A422 PolarHBondContact O-N 3.02Å; P420-A422 PolarHBondContact O-N 2.99Å; A422-D424 PolarHBondContact O-N 2.77Å; A422-L427 WeakPolarHBondContact O-CB 3.27Å; A422-L427 VanDerWaalsContact O-CD2 3.26Å; A422-L427 WeakPolarHBondContact O-CD2 3.34Å; A422-S453 CarbonylContact C-O 3.41Å; A422-S453 WeakPolarHBondContact CA-OG 3.22Å; A422-S453 WeakPolarHBondContact CB-OG 3.39Å
423	C	96.8	Very high	97.2	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.027	19%	0.19	C	C	.	.			trans	-78.8	54.2	-179.6	-64.2	0	0	0	0	111.9	C451 S453 P454 L457	C423-C451 HydrophobicContact CB-CB 3.81Å; C423-C451 WeakPolarHBondContact CB-SG 3.3Å; C423-C451 VanDerWaalsContact SG-CA 3.57Å; C423-C451 WeakPolarHBondContact SG-CB 3.26Å; C423-C451 CovalentContact SG-SG 2.02Å; C423-C451 PolarHBondContact SG-SG 3.05Å; C423-S453 PolarHBondContact N-O 2.98Å; C423-P454 WeakPolarHBondContact O-CD 3.29Å; C423-L457 HydrophobicContact CB-CD1 3.82Å; C423-L457 WeakPolarHBondContact O-CD1 3.34Å
424	D	95.5	Very high	97.2	Very high	68 Å²	68	38 Å²	38	36%	0.364	19%	0.186	S	C	.	.	S	Bend	trans	-97.9	-171.2	172.7	62.1	26	0	0	0	111.3	A422 Q426 L427 E428	A422-D424 PolarHBondContact O-N 2.77Å; D424-Q426 PolarHBondContact O-N 2.64Å; D424-Q426 VanDerWaalsContact OD1-CB 3.31Å; D424-Q426 WeakPolarHBondContact OD1-CB 3.15Å; D424-Q426 PolarHBondContact OD1-N 3.31Å; D424-L427 PolarHBondContact O-N 2.61Å; D424-L427 VanDerWaalsContact O-N 3.15Å; D424-L427 PolarHBondContact OD1-N 3.2Å; D424-E428 PolarHBondContact O-N 2.81Å
425	E	94.3	Very high	97.1	Very high	189 Å²	189	41 Å²	41	88%	0.883	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.5	179.8	-64.5	-179.2	-179.3	0	0	113.4
426	Q	95.6	Very high	97	Very high	134 Å²	134	44.2 Å²	44.2	63%	0.626	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-30.3	-179.5	-56.8	-177	4.4	0	0	111.9	D424	D424-Q426 PolarHBondContact O-N 2.64Å; D424-Q426 VanDerWaalsContact OD1-CB 3.31Å; D424-Q426 WeakPolarHBondContact OD1-CB 3.15Å; D424-Q426 PolarHBondContact OD1-N 3.31Å
427	L	97	Very high	96.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-11.5	179.8	-165.6	58.2	0	0	0	113.3	W421 A422 D424 W429 F430 R431 L462	W421-L427 HydrophobicContact CB-CD2 3.9Å; W421-L427 HydrophobicContact CD2-CD2 4.36Å; W421-L427 HydrophobicContact CE3-CD1 4.23Å; W421-L427 HydrophobicContact CE3-CD2 3.88Å; W421-L427 HydrophobicContact CG-CD2 4.41Å; W421-L427 HydrophobicContact CZ3-CD1 4.46Å; A422-L427 WeakPolarHBondContact O-CB 3.27Å; A422-L427 VanDerWaalsContact O-CD2 3.26Å; A422-L427 WeakPolarHBondContact O-CD2 3.34Å; D424-L427 PolarHBondContact O-N 2.61Å; D424-L427 VanDerWaalsContact O-N 3.15Å; D424-L427 PolarHBondContact OD1-N 3.2Å; L427-W429 PolarHBondContact O-N 2.82Å; L427-W429 VanDerWaalsContact O-N 3.16Å; L427-F430 HydrophobicContact CD1-CB 3.83Å; L427-F430 HydrophobicContact CD1-CD1 3.87Å; L427-F430 HydrophobicContact CD1-CG 4.3Å; L427-F430 HydrophobicContact CG-CB 4.43Å; L427-F430 WeakPolarHBondContact O-CB 3.35Å; L427-F430 PolarHBondContact O-N 2.96Å; L427-R431 HydrophobicContact CG-CG 4.5Å; L427-R431 PolarHBondContact O-N 3.35Å; L427-L462 HydrophobicContact CD2-CD1 3.99Å
428	E	95.4	Very high	96.8	Very high	45 Å²	45	50.4 Å²	50.4	21%	0.21	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-29.9	-173.2	-172	51.8	-136.6	0	0	113.4	D424 F430 R431 T432 R435	D424-E428 PolarHBondContact O-N 2.81Å; E428-F430 VanDerWaalsContact C-N 3.29Å; E428-F430 PolarHBondContact O-N 2.87Å; E428-R431 PolarHBondContact O-N 3.42Å; E428-R431 WeakPolarHBondContact OE2-CD 3.3Å; E428-R431 IonicContact OE2-NE 3.59Å; E428-R431 PolarHBondContact OE2-NE 3.28Å; E428-T432 WeakPolarHBondContact O-CB 3.47Å; E428-T432 PolarHBondContact O-N 3.4Å; E428-T432 PolarHBondContact O-OG1 2.96Å; E428-T432 PolarHBondContact OE1-OG1 2.88Å; E428-R435 IonicContact OE1-CZ 2.92Å; E428-R435 IonicContact OE1-NH1 3.28Å; E428-R435 IonicContact OE1-NH2 2.89Å; E428-R435 PolarHBondContact OE1-NH2 3.35Å
429	W	96.9	Very high	96.7	Very high	54 Å²	54	49.4 Å²	49.4	21%	0.205	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-40.6	172.9	80.1	-92.4	0	0	0	111.4	L396 P397 P398 F401 L427 T432 W433	L396-W429 HydrophobicContact CB-CZ2 3.72Å; L396-W429 WeakPolarHBondContact O-CZ2 3.11Å; L396-W429 PolarHBondContact O-NE1 2.92Å; P397-W429 VanDerWaalsContact C-CZ2 3.44Å; P397-W429 WeakPolarHBondContact O-CH2 3.4Å; P397-W429 WeakPolarHBondContact O-CZ2 3.49Å; P398-W429 HydrophobicContact CB-CD2 4.24Å; P398-W429 HydrophobicContact CB-CG 4.28Å; P398-W429 HydrophobicContact CG-CG 4.18Å; F401-W429 AromaticContact CD2-CH2 3.83Å; F401-W429 HydrophobicContact CD2-CH2 3.83Å; F401-W429 HydrophobicContact CD2-CZ3 4.26Å; F401-W429 HydrophobicContact CE2-CH2 4.2Å; L427-W429 PolarHBondContact O-N 2.82Å; L427-W429 VanDerWaalsContact O-N 3.16Å; W429-T432 PolarHBondContact O-N 2.57Å; W429-W433 HydrophobicContact CE3-CB 4.26Å; W429-W433 HydrophobicContact CZ3-CB 4.26Å; W429-W433 HydrophobicContact CZ3-CG 4.4Å; W429-W433 VanDerWaalsContact O-CB 3.29Å; W429-W433 WeakPolarHBondContact O-CB 3.38Å; W429-W433 PolarHBondContact O-N 2.91Å
430	F	97.9	Very high	96.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-71.8	-42.2	-178.2	-179.3	-132.1	0	0	0	110.1	L396 F401 L414 V416 L427 E428 T432 W433 L434 L462	L396-F430 HydrophobicContact CD1-CD1 4.12Å; L396-F430 HydrophobicContact CD1-CD2 4.32Å; L396-F430 HydrophobicContact CD1-CE1 3.93Å; L396-F430 HydrophobicContact CD1-CE2 4.18Å; L396-F430 HydrophobicContact CD1-CG 4.31Å; L396-F430 HydrophobicContact CD1-CZ 3.98Å; F401-F430 HydrophobicContact CD2-CD2 4.34Å; F401-F430 HydrophobicContact CD2-CE2 4.18Å; F401-F430 AromaticContact CE2-CD2 3.85Å; F401-F430 HydrophobicContact CE2-CD2 3.85Å; F401-F430 AromaticContact CE2-CE2 3.43Å; F401-F430 HydrophobicContact CE2-CE2 3.43Å; F401-F430 VanDerWaalsContact CE2-CE2 3.43Å; F401-F430 HydrophobicContact CE2-CZ 4.26Å; F401-F430 HydrophobicContact CZ-CE2 4.2Å; L414-F430 HydrophobicContact CD2-CE2 3.98Å; L414-F430 HydrophobicContact CD2-CZ 3.99Å; V416-F430 HydrophobicContact CG1-CZ 4.31Å; L427-F430 HydrophobicContact CD1-CB 3.83Å; L427-F430 HydrophobicContact CD1-CD1 3.87Å; L427-F430 HydrophobicContact CD1-CG 4.3Å; L427-F430 HydrophobicContact CG-CB 4.43Å; L427-F430 WeakPolarHBondContact O-CB 3.35Å; L427-F430 PolarHBondContact O-N 2.96Å; E428-F430 VanDerWaalsContact C-N 3.29Å; E428-F430 PolarHBondContact O-N 2.87Å; F430-T432 VanDerWaalsContact C-N 3.3Å; F430-T432 PolarHBondContact O-N 2.93Å; F430-W433 AromaticContact CD2-CE3 3.94Å; F430-W433 HydrophobicContact CD2-CE3 3.94Å; F430-W433 AromaticContact CE2-CE3 3.78Å; F430-W433 HydrophobicContact CE2-CE3 3.78Å; F430-W433 AromaticContact CE2-CZ3 3.91Å; F430-W433 HydrophobicContact CE2-CZ3 3.91Å; F430-W433 PolarHBondContact O-N 2.69Å; F430-L434 HydrophobicContact CD1-CD1 4.28Å; F430-L434 HydrophobicContact CD2-CG 4.24Å; F430-L434 HydrophobicContact CE1-CD1 3.91Å; F430-L434 HydrophobicContact CE2-CD1 4.2Å; F430-L434 HydrophobicContact CE2-CD2 3.94Å; F430-L434 HydrophobicContact CE2-CG 3.91Å; F430-L434 HydrophobicContact CZ-CD1 3.85Å; F430-L434 HydrophobicContact CZ-CD2 4.08Å; F430-L434 HydrophobicContact CZ-CG 4.06Å; F430-L434 VanDerWaalsContact O-CG 3.32Å; F430-L434 WeakPolarHBondContact O-CG 2.81Å; F430-L434 PolarHBondContact O-N 3.38Å; F430-L462 HydrophobicContact CD1-CD2 4.33Å; F430-L462 HydrophobicContact CE1-CD2 3.81Å
431	R	97.3	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-45.6	173.3	-61.7	172	48	73.2	-12.9	110.6	L427 E428 L434 R435 C451 P461 L462 G464 N466	L427-R431 HydrophobicContact CG-CG 4.5Å; L427-R431 PolarHBondContact O-N 3.35Å; E428-R431 PolarHBondContact O-N 3.42Å; E428-R431 WeakPolarHBondContact OE2-CD 3.3Å; E428-R431 IonicContact OE2-NE 3.59Å; E428-R431 PolarHBondContact OE2-NE 3.28Å; R431-L434 PolarHBondContact O-N 2.87Å; R431-R435 WeakPolarHBondContact O-CG 3.47Å; R431-R435 PolarHBondContact O-N 2.87Å; R431-R435 VanDerWaalsContact O-N 3.16Å; R431-R435 PolarHBondContact O-NH1 3.17Å; R431-C451 PolarHBondContact NH1-SG 3.09Å; R431-P461 PolarHBondContact NH1-O 2.91Å; R431-L462 HydrophobicContact CG-CD1 4.15Å; R431-L462 WeakPolarHBondContact CG-O 3.31Å; R431-L462 PolarHBondContact NH1-O 2.76Å; R431-G464 VanDerWaalsContact CZ-O 3.23Å; R431-G464 PolarHBondContact NH1-O 3.43Å; R431-G464 PolarHBondContact NH2-O 3.4Å; R431-N466 PolarHBondContact NH2-OD1 3.1Å
432	T	96.7	Very high	96.6	Very high	46 Å²	46	51.2 Å²	51.2	28%	0.282	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-46	174.8	-60	0	0	0	0	112.1	E428 W429 F430 L434 R435 Q436	E428-T432 WeakPolarHBondContact O-CB 3.47Å; E428-T432 PolarHBondContact O-N 3.4Å; E428-T432 PolarHBondContact O-OG1 2.96Å; E428-T432 PolarHBondContact OE1-OG1 2.88Å; W429-T432 PolarHBondContact O-N 2.57Å; F430-T432 VanDerWaalsContact C-N 3.3Å; F430-T432 PolarHBondContact O-N 2.93Å; T432-L434 VanDerWaalsContact C-N 3.31Å; T432-L434 PolarHBondContact O-N 3.3Å; T432-R435 WeakPolarHBondContact O-CB 3.27Å; T432-R435 PolarHBondContact O-N 3.23Å; T432-R435 VanDerWaalsContact O-N 3.09Å; T432-R435 PolarHBondContact OG1-NH2 3.32Å; T432-Q436 WeakPolarHBondContact O-CG 3.41Å; T432-Q436 PolarHBondContact O-N 3.4Å
433	W	97.3	Very high	96.4	Very high	40 Å²	40	53.5 Å²	53.5	15%	0.152	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-39.5	178.6	-179.6	87.8	0	0	0	112.2	F401 F405 L414 W429 F430 R435 Q436 N437 I440	F401-W433 HydrophobicContact CB-CH2 4.33Å; F401-W433 HydrophobicContact CB-CZ2 3.86Å; F401-W433 HydrophobicContact CD1-CH2 4.5Å; F401-W433 HydrophobicContact CD2-CD2 4.49Å; F401-W433 HydrophobicContact CD2-CE3 4.29Å; F401-W433 HydrophobicContact CD2-CH2 4.08Å; F401-W433 HydrophobicContact CD2-CZ2 4.3Å; F401-W433 HydrophobicContact CD2-CZ3 4.08Å; F401-W433 HydrophobicContact CE2-CZ3 4.32Å; F401-W433 HydrophobicContact CG-CH2 4.05Å; F401-W433 HydrophobicContact CG-CZ2 4.08Å; F405-W433 HydrophobicContact CB-CH2 4.31Å; F405-W433 HydrophobicContact CB-CZ2 4.2Å; F405-W433 HydrophobicContact CG-CH2 4.46Å; L414-W433 HydrophobicContact CD2-CH2 4.21Å; L414-W433 HydrophobicContact CD2-CZ3 3.78Å; W429-W433 HydrophobicContact CE3-CB 4.26Å; W429-W433 HydrophobicContact CZ3-CB 4.26Å; W429-W433 HydrophobicContact CZ3-CG 4.4Å; W429-W433 VanDerWaalsContact O-CB 3.29Å; W429-W433 WeakPolarHBondContact O-CB 3.38Å; W429-W433 PolarHBondContact O-N 2.91Å; F430-W433 AromaticContact CD2-CE3 3.94Å; F430-W433 HydrophobicContact CD2-CE3 3.94Å; F430-W433 AromaticContact CE2-CE3 3.78Å; F430-W433 HydrophobicContact CE2-CE3 3.78Å; F430-W433 AromaticContact CE2-CZ3 3.91Å; F430-W433 HydrophobicContact CE2-CZ3 3.91Å; F430-W433 PolarHBondContact O-N 2.69Å; W433-R435 VanDerWaalsContact C-N 3.34Å; W433-R435 PolarHBondContact O-N 3.4Å; W433-Q436 PolarHBondContact O-N 3.42Å; W433-N437 PolarHBondContact NE1-ND2 3.48Å; W433-N437 WeakPolarHBondContact O-CB 3.45Å; W433-N437 PolarHBondContact O-N 3.24Å; W433-N437 PolarHBondContact O-ND2 2.77Å; W433-I440 HydrophobicContact CH2-CD1 3.39Å; W433-I440 HydrophobicContact CZ2-CD1 4Å; W433-I440 HydrophobicContact CZ3-CD1 3.84Å
434	L	97.8	Very high	96.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-34.6	173.8	-71.6	178.2	0	0	0	112.8	F430 R431 T432 N437 N438 I442 L462 R463	F430-L434 HydrophobicContact CD1-CD1 4.28Å; F430-L434 HydrophobicContact CD2-CG 4.24Å; F430-L434 HydrophobicContact CE1-CD1 3.91Å; F430-L434 HydrophobicContact CE2-CD1 4.2Å; F430-L434 HydrophobicContact CE2-CD2 3.94Å; F430-L434 HydrophobicContact CE2-CG 3.91Å; F430-L434 HydrophobicContact CZ-CD1 3.85Å; F430-L434 HydrophobicContact CZ-CD2 4.08Å; F430-L434 HydrophobicContact CZ-CG 4.06Å; F430-L434 VanDerWaalsContact O-CG 3.32Å; F430-L434 WeakPolarHBondContact O-CG 2.81Å; F430-L434 PolarHBondContact O-N 3.38Å; R431-L434 PolarHBondContact O-N 2.87Å; T432-L434 VanDerWaalsContact C-N 3.31Å; T432-L434 PolarHBondContact O-N 3.3Å; L434-N437 CarbonylContact O-C 3.42Å; L434-N437 VanDerWaalsContact O-C 3.27Å; L434-N437 PolarHBondContact O-N 3.15Å; L434-N438 PolarHBondContact O-N 2.02Å; L434-I442 HydrophobicContact CD1-CD1 4.18Å; L434-I442 HydrophobicContact CD2-CG2 3.78Å; L434-L462 HydrophobicContact CD1-CD2 4.08Å; L434-L462 HydrophobicContact CD1-CG 4.07Å; L434-R463 HydrophobicContact CB-CG 4.38Å
435	R	96.9	Very high	95.8	Very high	63 Å²	63	58.6 Å²	58.6	24%	0.238	29%	0.293	C	S	.	.	H	α-helix	trans	-69.8	-39.9	174.1	-70.3	-174.4	-64.7	-93.1	4.6	111.9	E428 R431 T432 W433 N437 R463 G464	E428-R435 IonicContact OE1-CZ 2.92Å; E428-R435 IonicContact OE1-NH1 3.28Å; E428-R435 IonicContact OE1-NH2 2.89Å; E428-R435 PolarHBondContact OE1-NH2 3.35Å; R431-R435 WeakPolarHBondContact O-CG 3.47Å; R431-R435 PolarHBondContact O-N 2.87Å; R431-R435 VanDerWaalsContact O-N 3.16Å; R431-R435 PolarHBondContact O-NH1 3.17Å; T432-R435 WeakPolarHBondContact O-CB 3.27Å; T432-R435 PolarHBondContact O-N 3.23Å; T432-R435 VanDerWaalsContact O-N 3.09Å; T432-R435 PolarHBondContact OG1-NH2 3.32Å; W433-R435 VanDerWaalsContact C-N 3.34Å; W433-R435 PolarHBondContact O-N 3.4Å; R435-N437 PolarHBondContact O-N 3.03Å; R435-R463 WeakPolarHBondContact CD-O 3.27Å; R435-R463 HydrophobicContact CG-CG 3.97Å; R435-R463 WeakPolarHBondContact CG-O 3.43Å; R435-G464 PolarHBondContact NH1-O 2.79Å
436	Q	96	Very high	95.6	Very high	131 Å²	131	56.8 Å²	56.8	61%	0.612	29%	0.289	S	S	*	.	H	α-helix	trans	-69.6	-23.3	176.3	-68	174.3	-4.7	0	0	113	T432 W433	T432-Q436 WeakPolarHBondContact O-CG 3.41Å; T432-Q436 PolarHBondContact O-N 3.4Å; W433-Q436 PolarHBondContact O-N 3.42Å
437	N	96.6	Very high	95.5	Very high	19 Å²	19	51 Å²	51	10%	0.102	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	55.9	176.8	-67	-83	0	0	0	111.3	R412 W433 L434 R435 D439 I440	R412-N437 PolarHBondContact NH1-OD1 3Å; R412-N437 PolarHBondContact NH2-OD1 2.95Å; W433-N437 PolarHBondContact NE1-ND2 3.48Å; W433-N437 WeakPolarHBondContact O-CB 3.45Å; W433-N437 PolarHBondContact O-N 3.24Å; W433-N437 PolarHBondContact O-ND2 2.77Å; L434-N437 CarbonylContact O-C 3.42Å; L434-N437 VanDerWaalsContact O-C 3.27Å; L434-N437 PolarHBondContact O-N 3.15Å; R435-N437 PolarHBondContact O-N 3.03Å; N437-D439 PolarHBondContact O-N 3.35Å; N437-D439 VanDerWaalsContact O-N 3.14Å; N437-I440 HydrophobicContact CB-CD1 3.51Å; N437-I440 HydrophobicContact CB-CG1 3.9Å; N437-I440 WeakPolarHBondContact O-CB 3.29Å; N437-I440 PolarHBondContact O-N 2.92Å
438	N	95.3	Very high	95.5	Very high	111 Å²	111	57.5 Å²	57.5	59%	0.594	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.6	-175.8	64.9	-8.6	0	0	0	115	L434 I440 R463	L434-N438 PolarHBondContact O-N 2.02Å; N438-I440 VanDerWaalsContact C-N 3.32Å; N438-R463 PolarHBondContact O-NH1 2.86Å; N438-R463 VanDerWaalsContact O-NH1 3.1Å
439	D	95.5	Very high	95.6	Very high	73 Å²	73	55.5 Å²	55.5	39%	0.39	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.2	176.1	62.1	-69.6	0	0	0	113.8	R412 N437 I441	R412-D439 IonicContact CZ-OD1 3.91Å; R412-D439 IonicContact CZ-OD2 3.39Å; R412-D439 IonicContact NE-OD2 2.74Å; R412-D439 PolarHBondContact NE-OD2 2.87Å; R412-D439 IonicContact NH2-OD1 3.04Å; R412-D439 PolarHBondContact NH2-OD1 3.35Å; R412-D439 IonicContact NH2-OD2 3.3Å; R412-D439 PolarHBondContact NH2-OD2 3.31Å; N437-D439 PolarHBondContact O-N 3.35Å; N437-D439 VanDerWaalsContact O-N 3.14Å; D439-I441 PolarHBondContact O-N 2.89Å
440	I	97.6	Very high	95.6	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.284	C	S	.	.	S	Bend	trans	-69.7	127.6	174.1	-61.9	178.9	0	0	0	108.9	F405 R412 L414 W433 N437 N438 I442 R463	F405-I440 HydrophobicContact CD1-CD1 4.34Å; R412-I440 HydrophobicContact CB-CB 4.49Å; R412-I440 HydrophobicContact CB-CG1 3.83Å; R412-I440 CarbonylContact O-C 3.54Å; R412-I440 WeakPolarHBondContact O-CA 3.45Å; L414-I440 HydrophobicContact CB-CG2 3.66Å; W433-I440 HydrophobicContact CH2-CD1 3.39Å; W433-I440 HydrophobicContact CZ2-CD1 4Å; W433-I440 HydrophobicContact CZ3-CD1 3.84Å; N437-I440 HydrophobicContact CB-CD1 3.51Å; N437-I440 HydrophobicContact CB-CG1 3.9Å; N437-I440 WeakPolarHBondContact O-CB 3.29Å; N437-I440 PolarHBondContact O-N 2.92Å; N438-I440 VanDerWaalsContact C-N 3.32Å; I440-I442 HydrophobicContact CG2-CG2 4.02Å; I440-R463 PolarHBondContact O-NH2 3.33Å
441	I	97.2	Very high	95.6	Very high	82 Å²	82	55.8 Å²	55.8	42%	0.421	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-83.4	122.8	174.7	-57.5	171.9	0	0	0	108.3	R412 V413 L414 Y415 D439	R412-I441 PolarHBondContact O-N 3.31Å; V413-I441 WeakPolarHBondContact CA-O 3.27Å; V413-I441 HydrophobicContact CG2-CB 4.41Å; V413-I441 HydrophobicContact CG2-CD1 4.48Å; L414-I441 PolarHBondContact N-O 2.75Å; Y415-I441 HydrophobicContact CE1-CG2 4.08Å; D439-I441 PolarHBondContact O-N 2.89Å
442	I	97.5	Very high	95.6	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.026	31%	0.314	C	S	.	.			trans	-114.1	-9.6	-177.8	64.2	174.4	0	0	0	115.2	L414 V416 L434 I440 A449 R463	L414-I442 HydrophobicContact CB-CG2 4.44Å; L414-I442 WeakPolarHBondContact O-CA 3.14Å; L414-I442 WeakPolarHBondContact O-CB 3.44Å; L414-I442 WeakPolarHBondContact O-CG2 3.28Å; V416-I442 HydrophobicContact CG2-CB 4.07Å; V416-I442 HydrophobicContact CG2-CG2 4.45Å; V416-I442 PolarHBondContact N-O 3.18Å; L434-I442 HydrophobicContact CD1-CD1 4.18Å; L434-I442 HydrophobicContact CD2-CG2 3.78Å; I440-I442 HydrophobicContact CG2-CG2 4.02Å; I442-A449 HydrophobicContact CD1-CB 3.99Å; I442-A449 HydrophobicContact CG1-CB 4.27Å; I442-R463 HydrophobicContact CD1-CB 4.17Å
443	D	93.9	Very high	95.6	Very high	58 Å²	58	63.3 Å²	63.3	31%	0.31	32%	0.315	S	S	.	.			trans	-118.2	148.4	-174.4	-56.4	-52.1	0	0	0	110.3	Y415 C447 Y448 A449	Y415-D443 VanDerWaalsContact CE1-O 3.24Å; Y415-D443 WeakPolarHBondContact CE1-O 3.41Å; D443-C447 WeakPolarHBondContact CA-O 3Å; D443-Y448 HydrophobicContact CB-CD1 4.3Å; D443-Y448 WeakPolarHBondContact OD1-CA 3.17Å; D443-A449 WeakPolarHBondContact OD1-CB 3.45Å; D443-A449 PolarHBondContact OD1-N 3.04Å
444	K	89.8	Confident	95.6	Very high	63 Å²	63	63.4 Å²	63.4	27%	0.274	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-107.1	169.8	169.1	-54.8	170.7	177.4	172.3	0	109	D387 S389 Y415 D446 C447	D387-K444 IonicContact OD1-NZ 3.97Å; D387-K444 PolarHBondContact OD1-NZ 3.15Å; D387-K444 VanDerWaalsContact OD2-CE 3.25Å; D387-K444 WeakPolarHBondContact OD2-CE 3.16Å; D387-K444 IonicContact OD2-NZ 2.89Å; D387-K444 PolarHBondContact OD2-NZ 2.81Å; S389-K444 PolarHBondContact OG-NZ 3.07Å; Y415-K444 HydrophobicContact CD1-CD 4.39Å; Y415-K444 HydrophobicContact CD1-CG 3.53Å; Y415-K444 HydrophobicContact CD2-CD 4.19Å; Y415-K444 HydrophobicContact CD2-CG 4.06Å; Y415-K444 HydrophobicContact CE1-CB 4.48Å; Y415-K444 HydrophobicContact CE1-CG 3.48Å; Y415-K444 VanDerWaalsContact CE1-CG 3.48Å; Y415-K444 HydrophobicContact CE2-CD 4.33Å; Y415-K444 HydrophobicContact CE2-CG 3.98Å; Y415-K444 HydrophobicContact CG-CD 4.19Å; Y415-K444 HydrophobicContact CG-CG 3.83Å; K444-D446 PolarHBondContact O-N 3.23Å; K444-D446 VanDerWaalsContact O-N 3.11Å; K444-C447 HydrophobicContact CB-CB 3.99Å; K444-C447 PolarHBondContact N-O 3.03Å; K444-C447 PolarHBondContact O-N 3.22Å
445	S	89.5	Confident	95.3	Very high	117 Å²	117	70.6 Å²	70.6	82%	0.818	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	122.6	164.4	-55.5	0	0	0	0	109.6	C447	S445-C447 PolarHBondContact O-N 3.3Å; S445-C447 VanDerWaalsContact O-N 3.13Å
446	D	89.6	Confident	95.1	Very high	150 Å²	150	74.4 Å²	74.4	80%	0.802	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	17.8	-179.4	-52	-49.4	0	0	0	116.3	K444	K444-D446 PolarHBondContact O-N 3.23Å; K444-D446 VanDerWaalsContact O-N 3.11Å
447	C	94.5	Very high	95	Very high	13 Å²	13	68.3 Å²	68.3	9%	0.088	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-133.9	98.9	175.9	-162.4	0	0	0	0	110.4	C417 D443 K444 S445	C417-C447 HydrophobicContact CB-CB 3.96Å; C417-C447 WeakPolarHBondContact CB-O 3.26Å; C417-C447 WeakPolarHBondContact CB-SG 3.19Å; C417-C447 WeakPolarHBondContact SG-CB 3.22Å; C417-C447 CovalentContact SG-SG 2.04Å; C417-C447 PolarHBondContact SG-SG 3.23Å; D443-C447 WeakPolarHBondContact CA-O 3Å; K444-C447 HydrophobicContact CB-CB 3.99Å; K444-C447 PolarHBondContact N-O 3.03Å; K444-C447 PolarHBondContact O-N 3.22Å; S445-C447 PolarHBondContact O-N 3.3Å; S445-C447 VanDerWaalsContact O-N 3.13Å
448	Y	96	Very high	94.9	Very high	137 Å²	137	70.2 Å²	70.2	54%	0.537	36%	0.363	S	S	.	.			trans	-100.7	139.3	-176.8	-58	-78.8	0	0	0	111.9	C417 D443 L450	C417-Y448 VanDerWaalsContact CB-O 3.29Å; C417-Y448 WeakPolarHBondContact CB-O 3.44Å; D443-Y448 HydrophobicContact CB-CD1 4.3Å; D443-Y448 WeakPolarHBondContact OD1-CA 3.17Å; Y448-L450 PolarHBondContact O-N 3.06Å
449	A	97.4	Very high	94.9	Very high	2 Å²	2	70 Å²	70	2%	0.017	36%	0.362	C	S	.	.			trans	-77.4	103.2	172.6	0	0	0	0	0	109.9	V416 I442 D443 L462	V416-A449 HydrophobicContact CG2-CB 3.82Å; I442-A449 HydrophobicContact CD1-CB 3.99Å; I442-A449 HydrophobicContact CG1-CB 4.27Å; D443-A449 WeakPolarHBondContact OD1-CB 3.45Å; D443-A449 PolarHBondContact OD1-N 3.04Å; A449-L462 HydrophobicContact CB-CB 3.99Å; A449-L462 HydrophobicContact CB-CD2 4.2Å; A449-L462 VanDerWaalsContact O-CB 3.31Å; A449-L462 WeakPolarHBondContact O-CB 3.18Å; A449-L462 PolarHBondContact O-N 2.79Å
450	L	97.2	Very high	94.9	Very high	58 Å²	58	70.5 Å²	70.5	30%	0.304	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-123.4	149.6	-173.6	-55.5	178.6	0	0	0	111.7	Y448 N459 W460	Y448-L450 PolarHBondContact O-N 3.06Å; L450-N459 HydrophobicContact CD1-CB 4.35Å; L450-W460 CarbonylContact C-O 3.5Å; L450-W460 WeakPolarHBondContact CA-O 3.25Å
451	C	97.9	Very high	94.8	Very high	2 Å²	2	73.6 Å²	73.6	1%	0.014	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	137.8	169.5	-66.4	0	0	0	0	110.8	C423 R431 L457 N459 W460	C423-C451 HydrophobicContact CB-CB 3.81Å; C423-C451 WeakPolarHBondContact CB-SG 3.3Å; C423-C451 VanDerWaalsContact SG-CA 3.57Å; C423-C451 WeakPolarHBondContact SG-CB 3.26Å; C423-C451 CovalentContact SG-SG 2.02Å; C423-C451 PolarHBondContact SG-SG 3.05Å; R431-C451 PolarHBondContact NH1-SG 3.09Å; C451-L457 HydrophobicContact CB-CB 4.17Å; C451-L457 WeakPolarHBondContact CB-O 3.42Å; C451-N459 PolarHBondContact O-N 3.06Å; C451-W460 HydrophobicContact CB-CB 4.27Å; C451-W460 PolarHBondContact N-O 3.34Å
452	R	98	Very high	94.8	Very high	159 Å²	159	69.7 Å²	69.7	60%	0.6	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	-25.4	175.6	-175.8	57.7	179.3	-175.4	2.8	113.1	P420 W421 V458	P420-R452 HydrophobicContact CB-CB 4.27Å; P420-R452 HydrophobicContact CB-CG 4.06Å; W421-R452 PolarHBondContact O-N 2.94Å; R452-V458 WeakPolarHBondContact O-CG2 2.91Å
453	S	97.2	Very high	94.7	Very high	45 Å²	45	72.8 Å²	72.8	32%	0.315	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	163.4	172.9	58.9	0	0	0	0	109.2	W421 A422 C423	W421-S453 PolarHBondContact O-N 3.22Å; A422-S453 CarbonylContact C-O 3.41Å; A422-S453 WeakPolarHBondContact CA-OG 3.22Å; A422-S453 WeakPolarHBondContact CB-OG 3.39Å; C423-S453 PolarHBondContact N-O 2.98Å
454	P	95.4	Very high	94.5	Very high	42 Å²	42	71 Å²	71	27%	0.273	37%	0.365	S	S	.	.	S	Bend	cis	-66.4	171.9	-9.9	31	-38.1	0	0	0	113.3	C423 H456 L457 V458	C423-P454 WeakPolarHBondContact O-CD 3.29Å; P454-H456 VanDerWaalsContact C-N 3.26Å; P454-H456 WeakPolarHBondContact CG-CE1 3.42Å; P454-H456 PolarHBondContact O-N 3.08Å; P454-H456 VanDerWaalsContact O-N 3.14Å; P454-L457 HydrophobicContact CG-CD1 4.33Å; P454-L457 HydrophobicContact CG-CG 4.42Å; P454-L457 PolarHBondContact O-N 2.89Å; P454-V458 PolarHBondContact O-N 2.94Å
455	D	92.8	Very high	94.3	Very high	151 Å²	151	74.5 Å²	74.5	81%	0.807	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-53	-37.6	-173.1	-69.3	-21.7	0	0	0	114.2	L457 V458	D455-L457 PolarHBondContact O-N 3.01Å; D455-V458 WeakPolarHBondContact O-CG2 3.44Å; D455-V458 PolarHBondContact O-N 3.28Å
456	H	92.5	Very high	93.8	Very high	144 Å²	144	72.4 Å²	72.4	67%	0.667	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-73.4	-10.7	179.9	64.9	-89.6	0	0	0	114.1	P454	P454-H456 VanDerWaalsContact C-N 3.26Å; P454-H456 WeakPolarHBondContact CG-CE1 3.42Å; P454-H456 PolarHBondContact O-N 3.08Å; P454-H456 VanDerWaalsContact O-N 3.14Å
457	L	93.8	Very high	92.8	Very high	3 Å²	3	70 Å²	70	2%	0.016	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-113.9	8.8	175.5	-63.7	-179.3	0	0	0	112.5	C423 C451 P454 D455 N459 W460	C423-L457 HydrophobicContact CB-CD1 3.82Å; C423-L457 WeakPolarHBondContact O-CD1 3.34Å; C451-L457 HydrophobicContact CB-CB 4.17Å; C451-L457 WeakPolarHBondContact CB-O 3.42Å; P454-L457 HydrophobicContact CG-CD1 4.33Å; P454-L457 HydrophobicContact CG-CG 4.42Å; P454-L457 PolarHBondContact O-N 2.89Å; D455-L457 PolarHBondContact O-N 3.01Å; L457-N459 PolarHBondContact O-N 2.94Å; L457-W460 HydrophobicContact CB-CB 4.17Å; L457-W460 HydrophobicContact CD2-CB 4.37Å; L457-W460 HydrophobicContact CD2-CG 4.17Å; L457-W460 WeakPolarHBondContact O-CB 3.25Å; L457-W460 PolarHBondContact O-N 3.15Å
458	V	95.4	Very high	91.2	Very high	58 Å²	58	76 Å²	76	35%	0.352	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	132.9	178.9	174.2	0	0	0	0	110.2	R452 P454 D455 W460	R452-V458 WeakPolarHBondContact O-CG2 2.91Å; P454-V458 PolarHBondContact O-N 2.94Å; D455-V458 WeakPolarHBondContact O-CG2 3.44Å; D455-V458 PolarHBondContact O-N 3.28Å; V458-W460 PolarHBondContact O-N 3.05Å
459	N	94.4	Very high	89.2	Confident	108 Å²	108	74.3 Å²	74.3	58%	0.578	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	12	-174.8	-56.5	-35.7	0	0	0	114.6	L450 C451 L457	L450-N459 HydrophobicContact CD1-CB 4.35Å; C451-N459 PolarHBondContact O-N 3.06Å; L457-N459 PolarHBondContact O-N 2.94Å
460	W	94.8	Very high	86.8	Confident	83 Å²	83	79.6 Å²	79.6	31%	0.314	42%	0.418	S	S	.	.			trans	-72.5	139.7	172.6	-165.7	-109.9	0	0	0	110.4	L450 C451 L457 V458 L462 E465 I467	L450-W460 CarbonylContact C-O 3.5Å; L450-W460 WeakPolarHBondContact CA-O 3.25Å; C451-W460 HydrophobicContact CB-CB 4.27Å; C451-W460 PolarHBondContact N-O 3.34Å; L457-W460 HydrophobicContact CB-CB 4.17Å; L457-W460 HydrophobicContact CD2-CB 4.37Å; L457-W460 HydrophobicContact CD2-CG 4.17Å; L457-W460 WeakPolarHBondContact O-CB 3.25Å; L457-W460 PolarHBondContact O-N 3.15Å; V458-W460 PolarHBondContact O-N 3.05Å; W460-L462 PolarHBondContact O-N 3.45Å; W460-E465 PolarHBondContact NE1-O 2.94Å; W460-I467 HydrophobicContact CE3-CD1 4.25Å; W460-I467 HydrophobicContact CH2-CD1 3.64Å; W460-I467 HydrophobicContact CH2-CG1 3.54Å; W460-I467 HydrophobicContact CZ2-CD1 4.25Å; W460-I467 HydrophobicContact CZ2-CG1 3.72Å; W460-I467 HydrophobicContact CZ3-CD1 3.64Å; W460-I467 HydrophobicContact CZ3-CG1 4.06Å
461	P	95.7	Very high	84.3	Confident	65 Å²	65	84.8 Å²	84.8	42%	0.422	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-56.2	131.6	175.4	-26	35.2	0	0	0	111.8	R431 R463 G464	R431-P461 PolarHBondContact NH1-O 2.91Å; P461-R463 PolarHBondContact O-N 2.98Å; P461-G464 PolarHBondContact O-N 3.46Å
462	L	96.7	Very high	81.7	Confident	0 Å²	0	90.6 Å²	90.6	0%	0	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-30	-177.6	-174.4	63.7	0	0	0	112.5	V416 W421 L427 F430 R431 L434 A449 W460	V416-L462 HydrophobicContact CG2-CD2 3.99Å; W421-L462 HydrophobicContact CB-CD1 4.04Å; W421-L462 HydrophobicContact CD2-CD2 4.24Å; W421-L462 HydrophobicContact CG-CD1 4.05Å; W421-L462 HydrophobicContact CG-CD2 4.1Å; L427-L462 HydrophobicContact CD2-CD1 3.99Å; F430-L462 HydrophobicContact CD1-CD2 4.33Å; F430-L462 HydrophobicContact CE1-CD2 3.81Å; R431-L462 HydrophobicContact CG-CD1 4.15Å; R431-L462 WeakPolarHBondContact CG-O 3.31Å; R431-L462 PolarHBondContact NH1-O 2.76Å; L434-L462 HydrophobicContact CD1-CD2 4.08Å; L434-L462 HydrophobicContact CD1-CG 4.07Å; A449-L462 HydrophobicContact CB-CB 3.99Å; A449-L462 HydrophobicContact CB-CD2 4.2Å; A449-L462 VanDerWaalsContact O-CB 3.31Å; A449-L462 WeakPolarHBondContact O-CB 3.18Å; A449-L462 PolarHBondContact O-N 2.79Å; W460-L462 PolarHBondContact O-N 3.45Å
463	R	95.8	Very high	79.2	Confident	70 Å²	70	90 Å²	90	26%	0.264	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-23.9	172.9	-176.7	178.1	-64.2	170.2	0.4	113.5	L434 R435 N438 I440 I442 P461	L434-R463 HydrophobicContact CB-CG 4.38Å; R435-R463 WeakPolarHBondContact CD-O 3.27Å; R435-R463 HydrophobicContact CG-CG 3.97Å; R435-R463 WeakPolarHBondContact CG-O 3.43Å; N438-R463 PolarHBondContact O-NH1 2.86Å; N438-R463 VanDerWaalsContact O-NH1 3.1Å; I440-R463 PolarHBondContact O-NH2 3.33Å; I442-R463 HydrophobicContact CD1-CB 4.17Å; P461-R463 PolarHBondContact O-N 2.98Å
464	G	90.3	Very high	76.5	Confident	20 Å²	20	90.2 Å²	90.2	21%	0.206	50%	0.495	C	S	.	.	S	Bend	trans	-60.7	151.1	-174	0	0	0	0	0	112.2	R431 R435 P461	R431-G464 VanDerWaalsContact CZ-O 3.23Å; R431-G464 PolarHBondContact NH1-O 3.43Å; R431-G464 PolarHBondContact NH2-O 3.4Å; R435-G464 PolarHBondContact NH1-O 2.79Å; P461-G464 PolarHBondContact O-N 3.46Å
465	E	86.2	Confident	74	Confident	138 Å²	138	94.6 Å²	94.6	65%	0.645	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-71.8	155.9	170.1	-67.3	-175.8	169	0	0	110.5	W460 I467	W460-E465 PolarHBondContact NE1-O 2.94Å; E465-I467 PolarHBondContact O-N 3.47Å
466	N	77.4	Confident	71.4	Confident	72 Å²	72	96 Å²	96	39%	0.385	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-64.7	134.9	172.4	-66.1	-14.4	0	0	0	108.2	R431 I468	R431-N466 PolarHBondContact NH2-OD1 3.1Å; N466-I468 PolarHBondContact O-N 3.06Å
467	I	69.2	Low	68.8	Low	99 Å²	99	92.3 Å²	92.3	51%	0.508	53%	0.527	S	S	.	.			trans	-62.1	105.2	167.2	-57.4	169.4	0	0	0	105.5	W460 E465 P469	W460-I467 HydrophobicContact CE3-CD1 4.25Å; W460-I467 HydrophobicContact CH2-CD1 3.64Å; W460-I467 HydrophobicContact CH2-CG1 3.54Å; W460-I467 HydrophobicContact CZ2-CD1 4.25Å; W460-I467 HydrophobicContact CZ2-CG1 3.72Å; W460-I467 HydrophobicContact CZ3-CD1 3.64Å; W460-I467 HydrophobicContact CZ3-CG1 4.06Å; E465-I467 PolarHBondContact O-N 3.47Å; I467-P469 WeakPolarHBondContact O-CD 3.29Å
468	I	61.6	Low	66	Low	139 Å²	139	100.2 Å²	100.2	71%	0.713	57%	0.569	S	S	*	*			trans	-64.2	112.1	158.4	-58.8	166.6	0	0	0	103.2	N466 P470	N466-I468 PolarHBondContact O-N 3.06Å; I468-P470 VanDerWaalsContact O-N 3.13Å
469	P	54.4	Low	63.1	Low	102 Å²	102	99.8 Å²	99.8	66%	0.662	58%	0.576	S	S	*	*			trans	-53.7	127.4	167.6	-13.9	28	0	0	0	104.9	I467 E471	I467-P469 WeakPolarHBondContact O-CD 3.29Å; P469-E471 PolarHBondContact O-N 3.14Å
470	P	46.5	Very low	60.4	Low	114 Å²	114	99.7 Å²	99.7	74%	0.74	58%	0.584	S	S	*	*			trans	-49	126.2	-179.2	18.5	-29.4	0	0	0	107.4	I468	I468-P470 VanDerWaalsContact O-N 3.13Å
471	E	43.5	Very low	58	Low	166 Å²	166	106.1 Å²	106.1	78%	0.776	61%	0.61	S	S	*	*			trans	-44.1	132	174.7	-85.4	179.1	154.4	0	0	107.3	P469 I473	P469-E471 PolarHBondContact O-N 3.14Å; E471-I473 PolarHBondContact O-N 3.4Å
472	P	44.8	Very low	55.5	Low	124 Å²	124	107 Å²	107	81%	0.805	62%	0.622	S	S	*	*			trans	-54.4	111.9	179.4	21.6	-30.8	0	0	0	106.6	G474	P472-G474 PolarHBondContact O-N 2.83Å
473	I	45.3	Very low	53.3	Low	146 Å²	146	112.1 Å²	112.1	75%	0.749	65%	0.649	S	S	*	*			trans	-52.5	116.2	173.3	-61.9	167.3	0	0	0	103.9	E471	E471-I473 PolarHBondContact O-N 3.4Å
474	G	40.4	Very low	51.9	Low	50 Å²	50	112.3 Å²	112.3	52%	0.515	66%	0.661	S	S	.	*	S	Bend	trans	-48.8	154.7	176.8	0	0	0	0	0	110.1	P472 E476	P472-G474 PolarHBondContact O-N 2.83Å; G474-E476 PolarHBondContact O-N 2.88Å; G474-E476 VanDerWaalsContact O-N 3.15Å
475	P	42.7	Very low	50.8	Low	134 Å²	134	116.1 Å²	116.1	87%	0.87	68%	0.684	S	S	*	*	S	Bend	trans	-45.7	121.8	-159.2	19.5	-32.2	0	0	0	111.3	G477	P475-G477 PolarHBondContact O-N 2.78Å
476	E	38.2	Very low	50.4	Low	180 Å²	180	113.6 Å²	113.6	84%	0.841	68%	0.679	S	S	*	*			trans	-44.9	102.6	-178.9	-66.4	176	147.8	0	0	109.9	G474 D478	G474-E476 PolarHBondContact O-N 2.88Å; G474-E476 VanDerWaalsContact O-N 3.15Å; E476-D478 PolarHBondContact O-N 3.44Å
477	G	37.1	Very low	50.6	Low	68 Å²	68	111.2 Å²	111.2	70%	0.701	67%	0.671	S	S	*	*			trans	-60.5	115.5	153.4	0	0	0	0	0	106.1	P475 G479	P475-G477 PolarHBondContact O-N 2.78Å; G477-G479 PolarHBondContact O-N 2.69Å
478	D	36.5	Very low	51.2	Low	169 Å²	169	114 Å²	114	90%	0.904	68%	0.675	S	S	*	*			trans	-44.1	84.6	178.1	-156.1	4.6	0	0	0	111	E476	E476-D478 PolarHBondContact O-N 3.44Å
479	G	34.5	Very low	52.4	Low	48 Å²	48	112.5 Å²	112.5	50%	0.495	67%	0.667	S	S	.	*			trans	-115	74.6	-173.3	0	0	0	0	0	107	G477 Y481	G477-G479 PolarHBondContact O-N 2.69Å; G479-Y481 PolarHBondContact O-N 3.49Å
480	S	36.7	Very low	53.9	Low	107 Å²	107	112.1 Å²	112.1	75%	0.748	66%	0.659	S	S	*	*			trans	-39.6	109.6	163	-177.6	0	0	0	0	108.1	A482	S480-A482 PolarHBondContact O-N 2.91Å
481	Y	45.7	Very low	55.9	Low	218 Å²	218	110.7 Å²	110.7	86%	0.855	64%	0.644	S	S	*	*			trans	-70.3	66.8	170.9	-67.5	-84.4	0	0	0	108	G479 L483	G479-Y481 PolarHBondContact O-N 3.49Å; Y481-L483 PolarHBondContact O-N 3.34Å
482	A	43	Very low	58.1	Low	83 Å²	83	105.5 Å²	105.5	69%	0.686	63%	0.63	S	S	*	*			trans	-60.7	88.9	147.2	0	0	0	0	0	105.1	S480 S484	S480-A482 PolarHBondContact O-N 2.91Å; A482-S484 PolarHBondContact O-N 3.46Å
483	L	49.6	Very low	60.4	Low	108 Å²	108	103.2 Å²	103.2	57%	0.565	61%	0.613	S	S	*	*			trans	-41.3	108.9	162.2	-88.5	151.7	0	0	0	105.9	Y481 S485 W488	Y481-L483 PolarHBondContact O-N 3.34Å; L483-S485 PolarHBondContact O-N 2.95Å; L483-W488 HydrophobicContact CD1-CZ2 4.36Å
484	S	65.6	Low	62.7	Low	74 Å²	74	100.3 Å²	100.3	52%	0.517	60%	0.598	S	S	.	*			trans	-47.9	147.1	179.6	64.7	0	0	0	0	108	A482 V486 G487 W488	A482-S484 PolarHBondContact O-N 3.46Å; S484-V486 CarbonylContact O-C 3.6Å; S484-V486 PolarHBondContact O-N 3.02Å; S484-G487 PolarHBondContact O-N 3.24Å; S484-G487 PolarHBondContact OG-N 2.89Å; S484-W488 PolarHBondContact O-N 3.1Å
485	S	68.7	Low	65.3	Low	99 Å²	99	102.2 Å²	102.2	69%	0.692	60%	0.596	S	S	*	*	H	α-helix	trans	-49.5	-26.7	178.2	-46.6	0	0	0	0	111.9	L483 I489	L483-S485 PolarHBondContact O-N 2.95Å; S485-I489 VanDerWaalsContact O-CD1 3.3Å; S485-I489 WeakPolarHBondContact O-CD1 3.26Å; S485-I489 WeakPolarHBondContact O-CG1 3.09Å; S485-I489 PolarHBondContact O-N 3Å; S485-I489 VanDerWaalsContact O-N 3.16Å
486	V	77.9	Confident	67.7	Low	86 Å²	86	98.2 Å²	98.2	52%	0.521	57%	0.574	S	S	.	*	H	α-helix	trans	-65.6	-42	173.2	-173.1	0	0	0	0	113.4	S484 W488 I489 I490	S484-V486 CarbonylContact O-C 3.6Å; S484-V486 PolarHBondContact O-N 3.02Å; V486-W488 PolarHBondContact O-N 2.96Å; V486-I489 PolarHBondContact O-N 3.47Å; V486-I490 HydrophobicContact CG1-CD1 3.94Å; V486-I490 HydrophobicContact CG1-CG1 4.39Å; V486-I490 WeakPolarHBondContact O-CG1 3.18Å; V486-I490 PolarHBondContact O-N 3.26Å
487	G	80.4	Confident	70.4	Confident	21 Å²	21	94.2 Å²	94.2	22%	0.216	56%	0.558	C	S	.	*	H	α-helix	trans	-62.6	-40.8	178	0	0	0	0	0	112.8	S484 I490 L491	S484-G487 PolarHBondContact O-N 3.24Å; S484-G487 PolarHBondContact OG-N 2.89Å; G487-I490 PolarHBondContact O-N 3.32Å; G487-L491 WeakPolarHBondContact O-CB 3.22Å; G487-L491 PolarHBondContact O-N 2.91Å
488	W	82.7	Confident	73.1	Confident	159 Å²	159	95.6 Å²	95.6	60%	0.602	55%	0.549	S	S	*	.	H	α-helix	trans	-65.7	-38.2	172.3	-79.5	106.4	0	0	0	112.6	L483 S484 V486 L491 A492	L483-W488 HydrophobicContact CD1-CZ2 4.36Å; S484-W488 PolarHBondContact O-N 3.1Å; V486-W488 PolarHBondContact O-N 2.96Å; W488-L491 HydrophobicContact CE3-CD2 4.38Å; W488-L491 HydrophobicContact CZ3-CD2 4.25Å; W488-A492 VanDerWaalsContact O-CB 3.24Å; W488-A492 WeakPolarHBondContact O-CB 3.15Å; W488-A492 PolarHBondContact O-N 3.14Å
489	I	86.4	Confident	75.8	Confident	106 Å²	106	92.9 Å²	92.9	54%	0.544	53%	0.534	S	S	.	.	H	α-helix	trans	-64.1	-46.1	175.7	-68.9	162.2	0	0	0	110.7	S485 V486 A492 V493	S485-I489 VanDerWaalsContact O-CD1 3.3Å; S485-I489 WeakPolarHBondContact O-CD1 3.26Å; S485-I489 WeakPolarHBondContact O-CG1 3.09Å; S485-I489 PolarHBondContact O-N 3Å; S485-I489 VanDerWaalsContact O-N 3.16Å; V486-I489 PolarHBondContact O-N 3.47Å; I489-A492 PolarHBondContact O-N 3.36Å; I489-V493 HydrophobicContact CG2-CG2 4.43Å; I489-V493 VanDerWaalsContact O-CG2 3.25Å; I489-V493 WeakPolarHBondContact O-CG2 3.07Å; I489-V493 PolarHBondContact O-N 3.04Å
490	I	86.8	Confident	78.7	Confident	95 Å²	95	94.4 Å²	94.4	49%	0.487	53%	0.534	S	S	.	.	H	α-helix	trans	-62.7	-46	178.9	-67	167.8	0	0	0	110.7	V486 G487 A492 V493 I494	V486-I490 HydrophobicContact CG1-CD1 3.94Å; V486-I490 HydrophobicContact CG1-CG1 4.39Å; V486-I490 WeakPolarHBondContact O-CG1 3.18Å; V486-I490 PolarHBondContact O-N 3.26Å; G487-I490 PolarHBondContact O-N 3.32Å; I490-A492 VanDerWaalsContact C-N 3.34Å; I490-A492 PolarHBondContact O-N 2.91Å; I490-V493 PolarHBondContact O-N 3Å; I490-I494 HydrophobicContact CG2-CD1 3.89Å; I490-I494 HydrophobicContact CG2-CG1 4.49Å; I490-I494 WeakPolarHBondContact O-CG1 3.36Å; I490-I494 PolarHBondContact O-N 3.07Å
491	L	88	Confident	81.4	Confident	83 Å²	83	91.9 Å²	91.9	44%	0.435	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-42.8	177.6	-175.6	64.9	0	0	0	111.5	G487 W488 V493 I494 L495	G487-L491 WeakPolarHBondContact O-CB 3.22Å; G487-L491 PolarHBondContact O-N 2.91Å; W488-L491 HydrophobicContact CE3-CD2 4.38Å; W488-L491 HydrophobicContact CZ3-CD2 4.25Å; L491-V493 VanDerWaalsContact C-N 3.34Å; L491-V493 PolarHBondContact O-N 3.1Å; L491-I494 PolarHBondContact O-N 3.39Å; L491-L495 HydrophobicContact CG-CD1 4.17Å; L491-L495 WeakPolarHBondContact O-CB 3.43Å; L491-L495 VanDerWaalsContact O-CG 3.29Å; L491-L495 WeakPolarHBondContact O-CG 3.3Å; L491-L495 PolarHBondContact O-N 3.39Å
492	A	89.4	Confident	83.7	Confident	57 Å²	57	86.7 Å²	86.7	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-62.9	-38.8	176.1	0	0	0	0	0	112.3	W488 I489 I490 A496	W488-A492 VanDerWaalsContact O-CB 3.24Å; W488-A492 WeakPolarHBondContact O-CB 3.15Å; W488-A492 PolarHBondContact O-N 3.14Å; I489-A492 PolarHBondContact O-N 3.36Å; I490-A492 VanDerWaalsContact C-N 3.34Å; I490-A492 PolarHBondContact O-N 2.91Å; A492-A496 VanDerWaalsContact O-CB 3.29Å; A492-A496 WeakPolarHBondContact O-CB 3.2Å; A492-A496 PolarHBondContact O-N 2.72Å
493	V	93.8	Very high	86	Confident	76 Å²	76	86.3 Å²	86.3	46%	0.461	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-44.7	175.9	170.5	0	0	0	0	111.2	I489 I490 L491 L495 A496 I497	I489-V493 HydrophobicContact CG2-CG2 4.43Å; I489-V493 VanDerWaalsContact O-CG2 3.25Å; I489-V493 WeakPolarHBondContact O-CG2 3.07Å; I489-V493 PolarHBondContact O-N 3.04Å; I490-V493 PolarHBondContact O-N 3Å; L491-V493 VanDerWaalsContact C-N 3.34Å; L491-V493 PolarHBondContact O-N 3.1Å; V493-L495 PolarHBondContact O-N 3.36Å; V493-A496 PolarHBondContact O-N 3.01Å; V493-I497 HydrophobicContact CG1-CD1 3.84Å; V493-I497 HydrophobicContact CG1-CG1 4.49Å; V493-I497 VanDerWaalsContact O-CG1 3.29Å; V493-I497 WeakPolarHBondContact O-CG1 3.47Å; V493-I497 PolarHBondContact O-N 3.45Å
494	I	93.5	Very high	88.1	Confident	85 Å²	85	86.4 Å²	86.4	44%	0.436	49%	0.494	S	S	.	.	H	α-helix	trans	-61.4	-46.3	176.9	-67.9	168.7	0	0	0	110.3	I490 L491 A496 I497 L498	I490-I494 HydrophobicContact CG2-CD1 3.89Å; I490-I494 HydrophobicContact CG2-CG1 4.49Å; I490-I494 WeakPolarHBondContact O-CG1 3.36Å; I490-I494 PolarHBondContact O-N 3.07Å; L491-I494 PolarHBondContact O-N 3.39Å; I494-A496 VanDerWaalsContact C-N 3.32Å; I494-A496 PolarHBondContact O-N 3.23Å; I494-I497 PolarHBondContact O-N 3.39Å; I494-L498 HydrophobicContact CG2-CD1 3.99Å; I494-L498 WeakPolarHBondContact O-CG 3.34Å; I494-L498 PolarHBondContact O-N 3.18Å
495	L	93.2	Very high	89.3	Confident	90 Å²	90	88.6 Å²	88.6	47%	0.471	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-38.7	177	-72.4	175.6	0	0	0	112	L491 V493 L498 L499	L491-L495 HydrophobicContact CG-CD1 4.17Å; L491-L495 WeakPolarHBondContact O-CB 3.43Å; L491-L495 VanDerWaalsContact O-CG 3.29Å; L491-L495 WeakPolarHBondContact O-CG 3.3Å; L491-L495 PolarHBondContact O-N 3.39Å; V493-L495 PolarHBondContact O-N 3.36Å; L495-L498 PolarHBondContact O-N 3.46Å; L495-L499 WeakPolarHBondContact O-CB 3.12Å; L495-L499 VanDerWaalsContact O-CG 3.31Å; L495-L499 WeakPolarHBondContact O-CG 3.46Å; L495-L499 PolarHBondContact O-N 3.15Å
496	A	94.4	Very high	90.4	Very high	50 Å²	50	86.7 Å²	86.7	41%	0.413	49%	0.489	S	S	.	.	H	α-helix	trans	-66.2	-40	175.3	0	0	0	0	0	112.6	A492 V493 I494 L499 T500	A492-A496 VanDerWaalsContact O-CB 3.29Å; A492-A496 WeakPolarHBondContact O-CB 3.2Å; A492-A496 PolarHBondContact O-N 2.72Å; V493-A496 PolarHBondContact O-N 3.01Å; I494-A496 VanDerWaalsContact C-N 3.32Å; I494-A496 PolarHBondContact O-N 3.23Å; A496-L499 PolarHBondContact O-N 2.82Å; A496-T500 WeakPolarHBondContact O-CB 3.35Å; A496-T500 VanDerWaalsContact O-CG2 3.26Å; A496-T500 WeakPolarHBondContact O-CG2 3.35Å; A496-T500 PolarHBondContact O-N 2.99Å; A496-T500 PolarHBondContact O-OG1 3.46Å
497	I	94.8	Very high	91	Very high	97 Å²	97	86.8 Å²	86.8	50%	0.497	49%	0.486	S	S	.	.	H	α-helix	trans	-65.5	-42.4	175.8	-68	165.8	0	0	0	110.8	V493 I494 T500 S501	V493-I497 HydrophobicContact CG1-CD1 3.84Å; V493-I497 HydrophobicContact CG1-CG1 4.49Å; V493-I497 VanDerWaalsContact O-CG1 3.29Å; V493-I497 WeakPolarHBondContact O-CG1 3.47Å; V493-I497 PolarHBondContact O-N 3.45Å; I494-I497 PolarHBondContact O-N 3.39Å; I497-T500 WeakPolarHBondContact CA-OG1 3.41Å; I497-T500 PolarHBondContact O-OG1 3.29Å; I497-S501 WeakPolarHBondContact O-CB 3.46Å; I497-S501 PolarHBondContact O-N 3.16Å; I497-S501 PolarHBondContact O-OG 2.88Å
498	L	93.9	Very high	91.6	Very high	97 Å²	97	90 Å²	90	51%	0.508	50%	0.501	S	S	.	.	H	α-helix	trans	-65.4	-45.5	177.1	-71.3	171.1	0	0	0	111.4	I494 L495 S501 I502	I494-L498 HydrophobicContact CG2-CD1 3.99Å; I494-L498 WeakPolarHBondContact O-CG 3.34Å; I494-L498 PolarHBondContact O-N 3.18Å; L495-L498 PolarHBondContact O-N 3.46Å; L498-S501 PolarHBondContact O-N 3.07Å; L498-I502 VanDerWaalsContact O-CG1 3.27Å; L498-I502 WeakPolarHBondContact O-CG1 3.39Å; L498-I502 PolarHBondContact O-N 3.17Å
499	L	93.6	Very high	91.8	Very high	112 Å²	112	92.1 Å²	92.1	59%	0.586	51%	0.509	S	S	*	.	H	α-helix	trans	-62.8	-43.7	177.3	-78.6	165.1	0	0	0	112.2	L495 A496 I502 C503	L495-L499 WeakPolarHBondContact O-CB 3.12Å; L495-L499 VanDerWaalsContact O-CG 3.31Å; L495-L499 WeakPolarHBondContact O-CG 3.46Å; L495-L499 PolarHBondContact O-N 3.15Å; A496-L499 PolarHBondContact O-N 2.82Å; L499-I502 PolarHBondContact O-N 2.9Å; L499-C503 WeakPolarHBondContact O-CB 3.3Å; L499-C503 PolarHBondContact O-N 2.75Å; L499-C503 PolarHBondContact O-SG 3.14Å; L499-C503 VanDerWaalsContact O-SG 3.36Å
500	T	94	Very high	92	Very high	80 Å²	80	93.5 Å²	93.5	49%	0.491	51%	0.508	S	S	.	.	H	α-helix	trans	-65	-39.1	176.6	49.8	0	0	0	0	112.1	A496 I497 C503 L504	A496-T500 WeakPolarHBondContact O-CB 3.35Å; A496-T500 VanDerWaalsContact O-CG2 3.26Å; A496-T500 WeakPolarHBondContact O-CG2 3.35Å; A496-T500 PolarHBondContact O-N 2.99Å; A496-T500 PolarHBondContact O-OG1 3.46Å; I497-T500 WeakPolarHBondContact CA-OG1 3.41Å; I497-T500 PolarHBondContact O-OG1 3.29Å; T500-C503 PolarHBondContact O-N 3.26Å; T500-L504 WeakPolarHBondContact O-CB 3.47Å; T500-L504 WeakPolarHBondContact O-CG 3.36Å; T500-L504 PolarHBondContact O-N 3.06Å
501	S	93.2	Very high	92.1	Very high	54 Å²	54	95 Å²	95	38%	0.378	51%	0.512	S	S	.	.	H	α-helix	trans	-63.4	-43.7	175.3	-60	0	0	0	0	111.9	I497 L498 L504 L505	I497-S501 WeakPolarHBondContact O-CB 3.46Å; I497-S501 PolarHBondContact O-N 3.16Å; I497-S501 PolarHBondContact O-OG 2.88Å; L498-S501 PolarHBondContact O-N 3.07Å; S501-L504 PolarHBondContact O-N 3.3Å; S501-L505 WeakPolarHBondContact O-CG 3.2Å; S501-L505 PolarHBondContact O-N 3.09Å
502	I	93.9	Very high	92	Very high	109 Å²	109	94.6 Å²	94.6	56%	0.559	51%	0.512	S	S	*	.	H	α-helix	trans	-64.4	-44.2	175.7	-68	166.9	0	0	0	110.7	L498 L499 L504 L505 A506	L498-I502 VanDerWaalsContact O-CG1 3.27Å; L498-I502 WeakPolarHBondContact O-CG1 3.39Å; L498-I502 PolarHBondContact O-N 3.17Å; L499-I502 PolarHBondContact O-N 2.9Å; I502-L504 PolarHBondContact O-N 3.5Å; I502-L505 PolarHBondContact O-N 3.07Å; I502-A506 WeakPolarHBondContact O-CB 3.45Å; I502-A506 PolarHBondContact O-N 3.08Å
503	C	92.5	Very high	91.8	Very high	74 Å²	74	95.6 Å²	95.6	50%	0.5	52%	0.516	S	S	.	.	H	α-helix	trans	-62.3	-40.9	175.9	-76.1	0	0	0	0	112.4	L499 T500 A506 L507	L499-C503 WeakPolarHBondContact O-CB 3.3Å; L499-C503 PolarHBondContact O-N 2.75Å; L499-C503 PolarHBondContact O-SG 3.14Å; L499-C503 VanDerWaalsContact O-SG 3.36Å; T500-C503 PolarHBondContact O-N 3.26Å; C503-A506 PolarHBondContact O-N 3.24Å; C503-L507 WeakPolarHBondContact O-CB 3.48Å; C503-L507 VanDerWaalsContact O-CG 3.29Å; C503-L507 WeakPolarHBondContact O-CG 3.38Å; C503-L507 PolarHBondContact O-N 2.79Å
504	L	93.3	Very high	91.4	Very high	111 Å²	111	97.4 Å²	97.4	58%	0.581	52%	0.518	S	S	*	.	H	α-helix	trans	-64.2	-44.9	176.2	-78.4	169.6	0	0	0	111.7	T500 S501 I502 A506 L507 V508	T500-L504 WeakPolarHBondContact O-CB 3.47Å; T500-L504 WeakPolarHBondContact O-CG 3.36Å; T500-L504 PolarHBondContact O-N 3.06Å; S501-L504 PolarHBondContact O-N 3.3Å; I502-L504 PolarHBondContact O-N 3.5Å; L504-A506 VanDerWaalsContact C-N 3.32Å; L504-A506 PolarHBondContact O-N 3.44Å; L504-L507 PolarHBondContact O-N 3.27Å; L504-V508 VanDerWaalsContact O-CG2 3.31Å; L504-V508 WeakPolarHBondContact O-CG2 3.43Å; L504-V508 PolarHBondContact O-N 3.23Å
505	L	91.5	Very high	91	Very high	120 Å²	120	99.8 Å²	99.8	63%	0.628	53%	0.525	S	S	*	.	H	α-helix	trans	-61.9	-40.7	175.5	-72.3	170.5	0	0	0	111.8	S501 I502 V508 R509	S501-L505 WeakPolarHBondContact O-CG 3.2Å; S501-L505 PolarHBondContact O-N 3.09Å; I502-L505 PolarHBondContact O-N 3.07Å; L505-V508 PolarHBondContact O-N 2.89Å; L505-R509 WeakPolarHBondContact O-CB 3.3Å; L505-R509 WeakPolarHBondContact O-CG 3.21Å; L505-R509 PolarHBondContact O-N 3Å
506	A	90.7	Very high	90.5	Very high	59 Å²	59	101.2 Å²	101.2	49%	0.488	53%	0.529	S	S	.	.	H	α-helix	trans	-65.1	-42	175.4	0	0	0	0	0	112.1	I502 C503 L504 R509 Y510	I502-A506 WeakPolarHBondContact O-CB 3.45Å; I502-A506 PolarHBondContact O-N 3.08Å; C503-A506 PolarHBondContact O-N 3.24Å; L504-A506 VanDerWaalsContact C-N 3.32Å; L504-A506 PolarHBondContact O-N 3.44Å; A506-R509 PolarHBondContact O-N 2.95Å; A506-Y510 WeakPolarHBondContact O-CB 3.42Å; A506-Y510 PolarHBondContact O-N 3.21Å
507	L	91.5	Very high	90	Very high	87 Å²	87	105 Å²	105	46%	0.455	54%	0.536	S	S	.	.	H	α-helix	trans	-64.3	-45.2	175.3	-76.1	171.5	0	0	0	111.6	C503 L504 R509 Y510 F511	C503-L507 WeakPolarHBondContact O-CB 3.48Å; C503-L507 VanDerWaalsContact O-CG 3.29Å; C503-L507 WeakPolarHBondContact O-CG 3.38Å; C503-L507 PolarHBondContact O-N 2.79Å; L504-L507 PolarHBondContact O-N 3.27Å; L507-R509 VanDerWaalsContact C-N 3.34Å; L507-R509 PolarHBondContact O-N 2.99Å; L507-Y510 WeakPolarHBondContact O-CB 3.23Å; L507-Y510 PolarHBondContact O-N 3.09Å; L507-Y510 VanDerWaalsContact O-N 3.16Å; L507-F511 HydrophobicContact CB-CD2 4.43Å; L507-F511 HydrophobicContact CB-CE2 4.44Å; L507-F511 HydrophobicContact CD2-CE2 4.28Å; L507-F511 WeakPolarHBondContact O-CD2 3.38Å; L507-F511 PolarHBondContact O-N 3.07Å
508	V	91.6	Very high	89.6	Confident	88 Å²	88	106.3 Å²	106.3	53%	0.533	54%	0.538	S	S	.	.	H	α-helix	trans	-59	-47.5	175.7	170.6	0	0	0	0	110.1	L504 L505 Y510 F511 V512	L504-V508 VanDerWaalsContact O-CG2 3.31Å; L504-V508 WeakPolarHBondContact O-CG2 3.43Å; L504-V508 PolarHBondContact O-N 3.23Å; L505-V508 PolarHBondContact O-N 2.89Å; V508-Y510 VanDerWaalsContact C-N 3.33Å; V508-Y510 PolarHBondContact O-N 3.15Å; V508-F511 PolarHBondContact O-N 3.33Å; V508-V512 HydrophobicContact CG1-CG2 4.32Å; V508-V512 WeakPolarHBondContact O-CB 3.23Å; V508-V512 VanDerWaalsContact O-CG2 3.23Å; V508-V512 WeakPolarHBondContact O-CG2 3.41Å; V508-V512 PolarHBondContact O-N 3.22Å
509	R	88.5	Confident	89.1	Confident	204 Å²	204	106.2 Å²	106.2	77%	0.77	54%	0.535	S	S	*	.	H	α-helix	trans	-61.5	-39.5	175.3	-77.4	-162	173.7	-163.3	0.6	112.6	L505 A506 L507 S513	L505-R509 WeakPolarHBondContact O-CB 3.3Å; L505-R509 WeakPolarHBondContact O-CG 3.21Å; L505-R509 PolarHBondContact O-N 3Å; A506-R509 PolarHBondContact O-N 2.95Å; L507-R509 VanDerWaalsContact C-N 3.34Å; L507-R509 PolarHBondContact O-N 2.99Å; R509-S513 VanDerWaalsContact O-CB 3.22Å; R509-S513 WeakPolarHBondContact O-CB 3.46Å; R509-S513 PolarHBondContact O-N 3.28Å
510	Y	90	Very high	88.5	Confident	135 Å²	135	107.9 Å²	107.9	53%	0.529	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-46.2	176.2	176.3	-96.7	0	0	0	112	A506 L507 V508 S513 K514	A506-Y510 WeakPolarHBondContact O-CB 3.42Å; A506-Y510 PolarHBondContact O-N 3.21Å; L507-Y510 WeakPolarHBondContact O-CB 3.23Å; L507-Y510 PolarHBondContact O-N 3.09Å; L507-Y510 VanDerWaalsContact O-N 3.16Å; V508-Y510 VanDerWaalsContact C-N 3.33Å; V508-Y510 PolarHBondContact O-N 3.15Å; Y510-S513 PolarHBondContact O-N 3.45Å; Y510-K514 HydrophobicContact CE1-CD 4.06Å; Y510-K514 VanDerWaalsContact O-CB 3.28Å; Y510-K514 WeakPolarHBondContact O-CB 3.01Å; Y510-K514 PolarHBondContact O-N 3.07Å
511	F	87.9	Confident	88	Confident	127 Å²	127	109 Å²	109	56%	0.557	54%	0.538	S	S	*	.	H	α-helix	trans	-68.3	-38.8	178.3	-78.5	-67.8	0	0	0	112.5	L507 V508 K514 K515	L507-F511 HydrophobicContact CB-CD2 4.43Å; L507-F511 HydrophobicContact CB-CE2 4.44Å; L507-F511 HydrophobicContact CD2-CE2 4.28Å; L507-F511 WeakPolarHBondContact O-CD2 3.38Å; L507-F511 PolarHBondContact O-N 3.07Å; V508-F511 PolarHBondContact O-N 3.33Å; F511-K514 PolarHBondContact O-N 2.83Å; F511-K515 WeakPolarHBondContact O-CB 3.43Å; F511-K515 PolarHBondContact O-N 2.79Å
512	V	86.2	Confident	87.4	Confident	74 Å²	74	110.4 Å²	110.4	45%	0.448	54%	0.538	S	S	.	.	H	α-helix	trans	-61.1	-50.2	171.6	171.2	0	0	0	0	109.6	V508 K514 K515 H516	V508-V512 HydrophobicContact CG1-CG2 4.32Å; V508-V512 WeakPolarHBondContact O-CB 3.23Å; V508-V512 VanDerWaalsContact O-CG2 3.23Å; V508-V512 WeakPolarHBondContact O-CG2 3.41Å; V508-V512 PolarHBondContact O-N 3.22Å; V512-K514 VanDerWaalsContact C-N 3.34Å; V512-K514 PolarHBondContact O-N 3.45Å; V512-K515 WeakPolarHBondContact O-CB 3.37Å; V512-K515 PolarHBondContact O-N 3.34Å; V512-K515 VanDerWaalsContact O-N 3.17Å; V512-H516 PolarHBondContact O-CD2 2.88Å; V512-H516 PolarHBondContact O-N 3.15Å
513	S	85.5	Confident	86.6	Confident	78 Å²	78	107.4 Å²	107.4	55%	0.545	53%	0.529	S	S	.	.	H	α-helix	trans	-59.2	-42.6	177.3	-174.9	0	0	0	0	112.4	R509 Y510 H516 K517	R509-S513 VanDerWaalsContact O-CB 3.22Å; R509-S513 WeakPolarHBondContact O-CB 3.46Å; R509-S513 PolarHBondContact O-N 3.28Å; Y510-S513 PolarHBondContact O-N 3.45Å; S513-H516 PolarHBondContact O-N 3.38Å; S513-K517 WeakPolarHBondContact O-CB 3.32Å; S513-K517 PolarHBondContact O-N 2.94Å
514	K	86.1	Confident	86	Confident	115 Å²	115	108.9 Å²	108.9	50%	0.5	53%	0.529	S	S	.	.	H	α-helix	trans	-66.1	-37.7	176.6	-168.7	175.4	-178.2	175.3	0	112.1	Y510 F511 V512 K517 K518	Y510-K514 HydrophobicContact CE1-CD 4.06Å; Y510-K514 VanDerWaalsContact O-CB 3.28Å; Y510-K514 WeakPolarHBondContact O-CB 3.01Å; Y510-K514 PolarHBondContact O-N 3.07Å; F511-K514 PolarHBondContact O-N 2.83Å; V512-K514 VanDerWaalsContact C-N 3.34Å; V512-K514 PolarHBondContact O-N 3.45Å; K514-K517 PolarHBondContact O-N 3.46Å; K514-K518 WeakPolarHBondContact O-CB 3.38Å; K514-K518 PolarHBondContact O-N 3.08Å
515	K	85.3	Confident	85.1	Confident	135 Å²	135	109.4 Å²	109.4	59%	0.587	53%	0.529	S	S	*	.	H	α-helix	trans	-63.9	-45.6	173.2	-175.9	-178.5	178.1	-176.9	0	111	F511 V512 K517 K518 Q519	F511-K515 WeakPolarHBondContact O-CB 3.43Å; F511-K515 PolarHBondContact O-N 2.79Å; V512-K515 WeakPolarHBondContact O-CB 3.37Å; V512-K515 PolarHBondContact O-N 3.34Å; V512-K515 VanDerWaalsContact O-N 3.17Å; K515-K517 VanDerWaalsContact C-N 3.33Å; K515-K517 PolarHBondContact O-N 3.26Å; K515-K518 PolarHBondContact O-N 3.15Å; K515-Q519 WeakPolarHBondContact O-CB 3.34Å; K515-Q519 WeakPolarHBondContact O-CG 3.43Å; K515-Q519 PolarHBondContact O-N 2.87Å
516	H	82.7	Confident	84.2	Confident	120 Å²	120	112.8 Å²	112.8	56%	0.556	53%	0.533	S	S	*	.	H	α-helix	trans	-61.8	-40.6	174.6	-81.4	-113.3	0	0	0	111.6	V512 S513 Q519 K520	V512-H516 PolarHBondContact O-CD2 2.88Å; V512-H516 PolarHBondContact O-N 3.15Å; S513-H516 PolarHBondContact O-N 3.38Å; H516-Q519 PolarHBondContact O-N 2.99Å; H516-K520 VanDerWaalsContact O-CB 3.29Å; H516-K520 WeakPolarHBondContact O-CB 3.35Å; H516-K520 PolarHBondContact O-N 2.86Å
517	K	83.8	Confident	83.3	Confident	130 Å²	130	119 Å²	119	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-63.7	-46.6	175.5	-174.6	174.4	172.9	177.6	0	111.6	S513 K514 K515 K520 E521	S513-K517 WeakPolarHBondContact O-CB 3.32Å; S513-K517 PolarHBondContact O-N 2.94Å; K514-K517 PolarHBondContact O-N 3.46Å; K515-K517 VanDerWaalsContact C-N 3.33Å; K515-K517 PolarHBondContact O-N 3.26Å; K517-K520 WeakPolarHBondContact O-CB 3.24Å; K517-K520 PolarHBondContact O-N 3.38Å; K517-E521 WeakPolarHBondContact CE-OE1 3.34Å; K517-E521 IonicContact NZ-OE1 3.83Å; K517-E521 WeakPolarHBondContact O-CG 3.45Å; K517-E521 PolarHBondContact O-N 3.39Å
518	K	85.2	Confident	82.3	Confident	123 Å²	123	119.5 Å²	119.5	54%	0.535	55%	0.546	S	S	.	.	H	α-helix	trans	-63.2	-42.5	176.6	-166.6	-174.7	-177.3	-155.3	0	112	K514 K515 K520 E521 E522	K514-K518 WeakPolarHBondContact O-CB 3.38Å; K514-K518 PolarHBondContact O-N 3.08Å; K515-K518 PolarHBondContact O-N 3.15Å; K518-K520 VanDerWaalsContact C-N 3.28Å; K518-K520 PolarHBondContact O-N 2.81Å; K518-E521 PolarHBondContact O-N 3.2Å; K518-E522 WeakPolarHBondContact CE-OE1 3.46Å; K518-E522 HydrophobicContact CG-CG 4.48Å; K518-E522 IonicContact NZ-OE1 3.39Å; K518-E522 PolarHBondContact NZ-OE1 3.49Å; K518-E522 WeakPolarHBondContact O-CB 3.44Å; K518-E522 WeakPolarHBondContact O-CG 3.31Å; K518-E522 PolarHBondContact O-N 2.57Å
519	Q	83.8	Confident	81.1	Confident	96 Å²	96	120.6 Å²	120.6	45%	0.449	55%	0.548	S	S	.	.	H	α-helix	trans	-63.2	-35.7	174.4	-75.9	179	-25.4	0	0	112.1	K515 H516 A523	K515-Q519 WeakPolarHBondContact O-CB 3.34Å; K515-Q519 WeakPolarHBondContact O-CG 3.43Å; K515-Q519 PolarHBondContact O-N 2.87Å; H516-Q519 PolarHBondContact O-N 2.99Å; Q519-A523 WeakPolarHBondContact O-CB 3.47Å; Q519-A523 PolarHBondContact O-N 3.2Å
520	K	81.7	Confident	80	Confident	147 Å²	147	114.1 Å²	114.1	64%	0.639	53%	0.534	S	S	*	.	H	α-helix	trans	-69.3	-43.5	175.3	-167.5	179.2	178.9	-175.5	0	111.3	H516 K517 K518 A523 E524	H516-K520 VanDerWaalsContact O-CB 3.29Å; H516-K520 WeakPolarHBondContact O-CB 3.35Å; H516-K520 PolarHBondContact O-N 2.86Å; K517-K520 WeakPolarHBondContact O-CB 3.24Å; K517-K520 PolarHBondContact O-N 3.38Å; K518-K520 VanDerWaalsContact C-N 3.28Å; K518-K520 PolarHBondContact O-N 2.81Å; K520-A523 PolarHBondContact O-N 3.15Å; K520-E524 WeakPolarHBondContact O-CB 3.15Å; K520-E524 PolarHBondContact O-N 2.95Å
521	E	82.9	Confident	78.4	Confident	104 Å²	104	110.8 Å²	110.8	49%	0.486	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-44.1	173.8	-73.2	169.6	177.8	0	0	111.3	K517 K518 E524 E525	K517-E521 WeakPolarHBondContact CE-OE1 3.34Å; K517-E521 IonicContact NZ-OE1 3.83Å; K517-E521 WeakPolarHBondContact O-CG 3.45Å; K517-E521 PolarHBondContact O-N 3.39Å; K518-E521 PolarHBondContact O-N 3.2Å; E521-E524 PolarHBondContact O-N 3.43Å; E521-E525 VanDerWaalsContact O-CB 3.29Å; E521-E525 WeakPolarHBondContact O-CB 3.32Å; E521-E525 PolarHBondContact O-N 3.12Å
522	E	80.9	Confident	76.3	Confident	82 Å²	82	108.4 Å²	108.4	38%	0.383	53%	0.534	S	S	.	.	H	α-helix	trans	-65.4	-38.4	174.6	-73.9	172.5	-174.2	0	0	111.9	K518 R526	K518-E522 WeakPolarHBondContact CE-OE1 3.46Å; K518-E522 HydrophobicContact CG-CG 4.48Å; K518-E522 IonicContact NZ-OE1 3.39Å; K518-E522 PolarHBondContact NZ-OE1 3.49Å; K518-E522 WeakPolarHBondContact O-CB 3.44Å; K518-E522 WeakPolarHBondContact O-CG 3.31Å; K518-E522 PolarHBondContact O-N 2.57Å; E522-R526 VanDerWaalsContact O-CB 3.32Å; E522-R526 WeakPolarHBondContact O-CB 3.33Å; E522-R526 VanDerWaalsContact O-CG 3.23Å; E522-R526 WeakPolarHBondContact O-CG 3.36Å; E522-R526 PolarHBondContact O-N 3.04Å
523	A	77.6	Confident	74.3	Confident	46 Å²	46	109 Å²	109	38%	0.38	55%	0.547	S	S	.	.	H	α-helix	trans	-69.1	-35.3	174.8	0	0	0	0	0	111.9	Q519 K520 R527	Q519-A523 WeakPolarHBondContact O-CB 3.47Å; Q519-A523 PolarHBondContact O-N 3.2Å; K520-A523 PolarHBondContact O-N 3.15Å; A523-R527 WeakPolarHBondContact O-CB 3.36Å; A523-R527 VanDerWaalsContact O-CG 3.27Å; A523-R527 WeakPolarHBondContact O-CG 3.3Å; A523-R527 PolarHBondContact O-N 2.89Å
524	E	78.4	Confident	72.2	Confident	106 Å²	106	109.5 Å²	109.5	50%	0.495	55%	0.55	S	S	.	*	H	α-helix	trans	-75.1	-40.1	177	-168.6	159.6	-166.3	0	0	111.3	K520 E521 R527 I528	K520-E524 WeakPolarHBondContact O-CB 3.15Å; K520-E524 PolarHBondContact O-N 2.95Å; E521-E524 PolarHBondContact O-N 3.43Å; E524-R527 CarbonylContact O-C 3.27Å; E524-R527 WeakPolarHBondContact O-CA 3.15Å; E524-R527 WeakPolarHBondContact O-CB 3.37Å; E524-R527 PolarHBondContact O-N 3.3Å; E524-R527 VanDerWaalsContact O-N 3.14Å; E524-I528 HydrophobicContact CG-CD1 4.16Å; E524-I528 WeakPolarHBondContact O-CB 3.29Å; E524-I528 VanDerWaalsContact O-CG1 3.24Å; E524-I528 WeakPolarHBondContact O-CG1 3.38Å; E524-I528 PolarHBondContact O-N 2.83Å
525	E	76.1	Confident	69.7	Low	122 Å²	122	106.4 Å²	106.4	57%	0.57	55%	0.552	S	S	*	*	H	α-helix	trans	-63	-41.7	170.4	-171.2	179.1	-174.5	0	0	111	E521 R527 I528 L529	E521-E525 VanDerWaalsContact O-CB 3.29Å; E521-E525 WeakPolarHBondContact O-CB 3.32Å; E521-E525 PolarHBondContact O-N 3.12Å; E525-R527 VanDerWaalsContact C-N 3.33Å; E525-R527 PolarHBondContact O-N 2.66Å; E525-I528 PolarHBondContact O-N 2.93Å; E525-L529 HydrophobicContact CG-CD1 4.2Å; E525-L529 WeakPolarHBondContact O-CB 3.18Å; E525-L529 VanDerWaalsContact O-CG 3.31Å; E525-L529 WeakPolarHBondContact O-CG 3.34Å; E525-L529 PolarHBondContact O-N 3.39Å
526	R	71.7	Confident	66.9	Low	191 Å²	191	111 Å²	111	72%	0.721	57%	0.567	S	S	*	*	H	α-helix	trans	-61.8	-39.7	170.5	-78	178	-174.6	-143	2.3	112.2	E522 S530	E522-R526 VanDerWaalsContact O-CB 3.32Å; E522-R526 WeakPolarHBondContact O-CB 3.33Å; E522-R526 VanDerWaalsContact O-CG 3.23Å; E522-R526 WeakPolarHBondContact O-CG 3.36Å; E522-R526 PolarHBondContact O-N 3.04Å; R526-S530 VanDerWaalsContact O-CB 3.28Å; R526-S530 WeakPolarHBondContact O-CB 3.31Å; R526-S530 PolarHBondContact O-N 3.06Å; R526-S530 PolarHBondContact O-OG 3.08Å
527	R	71.6	Confident	64.6	Low	188 Å²	188	115.1 Å²	115.1	71%	0.709	59%	0.586	S	S	*	*	H	α-helix	trans	-65.2	-44	174.3	-80.3	176	-178	-168.4	0.6	111.2	A523 E524 E525 S530 S531	A523-R527 WeakPolarHBondContact O-CB 3.36Å; A523-R527 VanDerWaalsContact O-CG 3.27Å; A523-R527 WeakPolarHBondContact O-CG 3.3Å; A523-R527 PolarHBondContact O-N 2.89Å; E524-R527 CarbonylContact O-C 3.27Å; E524-R527 WeakPolarHBondContact O-CA 3.15Å; E524-R527 WeakPolarHBondContact O-CB 3.37Å; E524-R527 PolarHBondContact O-N 3.3Å; E524-R527 VanDerWaalsContact O-N 3.14Å; E525-R527 VanDerWaalsContact C-N 3.33Å; E525-R527 PolarHBondContact O-N 2.66Å; R527-S530 WeakPolarHBondContact CA-OG 3.15Å; R527-S530 CarbonylContact O-C 3.38Å; R527-S530 PolarHBondContact O-N 3.44Å; R527-S530 PolarHBondContact O-OG 3Å; R527-S531 VanDerWaalsContact O-CB 3.31Å; R527-S531 WeakPolarHBondContact O-CB 3.32Å; R527-S531 PolarHBondContact O-N 2.61Å; R527-S531 PolarHBondContact O-OG 3.07Å; R527-S531 VanDerWaalsContact O-OG 3.06Å
528	I	70.6	Confident	61.9	Low	99 Å²	99	114 Å²	114	51%	0.508	60%	0.601	S	S	.	*	H	α-helix	trans	-66.1	-40.3	177.6	-67.9	165.2	0	0	0	110.7	E524 E525 S531 A532	E524-I528 HydrophobicContact CG-CD1 4.16Å; E524-I528 WeakPolarHBondContact O-CB 3.29Å; E524-I528 VanDerWaalsContact O-CG1 3.24Å; E524-I528 WeakPolarHBondContact O-CG1 3.38Å; E524-I528 PolarHBondContact O-N 2.83Å; E525-I528 PolarHBondContact O-N 2.93Å; I528-S531 WeakPolarHBondContact CA-OG 3.4Å; I528-S531 PolarHBondContact O-N 3.08Å; I528-S531 PolarHBondContact O-OG 2.89Å; I528-A532 WeakPolarHBondContact O-CA 3.19Å; I528-A532 WeakPolarHBondContact O-CB 3.23Å; I528-A532 PolarHBondContact O-N 3.37Å
529	L	67.8	Low	59.2	Low	111 Å²	111	111.4 Å²	111.4	58%	0.581	61%	0.609	S	S	*	*	H	α-helix	trans	-66.5	-38.7	173.1	-73	168	0	0	0	111.2	E525 A533	E525-L529 HydrophobicContact CG-CD1 4.2Å; E525-L529 WeakPolarHBondContact O-CB 3.18Å; E525-L529 VanDerWaalsContact O-CG 3.31Å; E525-L529 WeakPolarHBondContact O-CG 3.34Å; E525-L529 PolarHBondContact O-N 3.39Å; L529-A533 VanDerWaalsContact O-CB 3.28Å; L529-A533 WeakPolarHBondContact O-CB 3.27Å; L529-A533 PolarHBondContact O-N 3.26Å
530	S	64.3	Low	56.5	Low	68 Å²	68	112.9 Å²	112.9	48%	0.476	63%	0.63	S	S	.	*	H	α-helix	trans	-70	-30.8	175.2	73.9	0	0	0	0	113.3	R526 R527 S534	R526-S530 VanDerWaalsContact O-CB 3.28Å; R526-S530 WeakPolarHBondContact O-CB 3.31Å; R526-S530 PolarHBondContact O-N 3.06Å; R526-S530 PolarHBondContact O-OG 3.08Å; R527-S530 WeakPolarHBondContact CA-OG 3.15Å; R527-S530 CarbonylContact O-C 3.38Å; R527-S530 PolarHBondContact O-N 3.44Å; R527-S530 PolarHBondContact O-OG 3Å; S530-S534 WeakPolarHBondContact O-CB 3.38Å; S530-S534 PolarHBondContact O-N 2.81Å; S530-S534 PolarHBondContact O-OG 3.41Å
531	S	56.3	Low	54	Low	65 Å²	65	109.8 Å²	109.8	46%	0.455	64%	0.64	S	S	.	*	H	α-helix	trans	-89.9	-24.5	178.3	68.5	0	0	0	0	112.9	R527 I528 A533 S534 G535	R527-S531 VanDerWaalsContact O-CB 3.31Å; R527-S531 WeakPolarHBondContact O-CB 3.32Å; R527-S531 PolarHBondContact O-N 2.61Å; R527-S531 PolarHBondContact O-OG 3.07Å; R527-S531 VanDerWaalsContact O-OG 3.06Å; I528-S531 WeakPolarHBondContact CA-OG 3.4Å; I528-S531 PolarHBondContact O-N 3.08Å; I528-S531 PolarHBondContact O-OG 2.89Å; S531-A533 VanDerWaalsContact C-N 3.34Å; S531-S534 CarbonylContact O-C 3.59Å; S531-S534 WeakPolarHBondContact O-CA 3.34Å; S531-S534 PolarHBondContact O-N 2.94Å; S531-S534 VanDerWaalsContact O-N 3.09Å; S531-G535 PolarHBondContact O-N 2.82Å
532	A	44.7	Very low	51.3	Low	77 Å²	77	108.5 Å²	108.5	64%	0.636	66%	0.655	S	S	*	*	H	α-helix	trans	-72.9	-31	166.9	0	0	0	0	0	110.9	I528 S534	I528-A532 WeakPolarHBondContact O-CA 3.19Å; I528-A532 WeakPolarHBondContact O-CB 3.23Å; I528-A532 PolarHBondContact O-N 3.37Å; A532-S534 PolarHBondContact O-N 3.5Å
533	A	44	Very low	48.7	Very low	87 Å²	87	110.3 Å²	110.3	72%	0.719	68%	0.676	S	S	*	*	S	Bend	trans	-70.5	-12.5	165.2	0	0	0	0	0	113.1	L529 S531	L529-A533 VanDerWaalsContact O-CB 3.28Å; L529-A533 WeakPolarHBondContact O-CB 3.27Å; L529-A533 PolarHBondContact O-N 3.26Å; S531-A533 VanDerWaalsContact C-N 3.34Å
534	S	41.7	Very low	46.4	Very low	87 Å²	87	112.8 Å²	112.8	61%	0.608	70%	0.697	S	S	*	*	S	Bend	trans	-130.5	65.2	-178.4	-47.5	0	0	0	0	109	S530 S531 A532	S530-S534 WeakPolarHBondContact O-CB 3.38Å; S530-S534 PolarHBondContact O-N 2.81Å; S530-S534 PolarHBondContact O-OG 3.41Å; S531-S534 CarbonylContact O-C 3.59Å; S531-S534 WeakPolarHBondContact O-CA 3.34Å; S531-S534 PolarHBondContact O-N 2.94Å; S531-S534 VanDerWaalsContact O-N 3.09Å; A532-S534 PolarHBondContact O-N 3.5Å
535	G	32.3	Very low	44	Very low	51 Å²	51	118.6 Å²	118.6	53%	0.526	72%	0.716	S	S	.	*			trans	-50.1	145.8	-174.5	0	0	0	0	0	114.4	S531	S531-G535 PolarHBondContact O-N 2.82Å
536	Y	26.5	Very low	41.9	Very low	232 Å²	232	118.3 Å²	118.3	91%	0.91	73%	0.725	S	S	*	*			trans	56	101.5	151.2	-73.7	-90.9	0	0	0	117.8
537	Q	34.3	Very low	39.6	Very low	206 Å²	206	113.7 Å²	113.7	96%	0.963	73%	0.727	S	S	*	*				-160.2	139.1	119.9	-106.9	174.9	7.9	0	0	111.7
538	A	28.6	Very low	37.4	Very low	105 Å²	105	110.2 Å²	110.2	87%	0.868	73%	0.732	S	S	*	*			trans	-99.8	162.4	-166	0	0	0	0	0	113.1
539	G	28.3	Very low	35.5	Very low	69 Å²	69	111.7 Å²	111.7	71%	0.711	75%	0.745	S	S	*	*			trans	110.9	94.3	162.5	0	0	0	0	0	112.8
540	S	27.3	Very low	33.5	Very low	127 Å²	127	112.6 Å²	112.6	89%	0.888	76%	0.755	S	S	*	*				88.5	119.6	77.8	70.1	0	0	0	0	113.9
541	G	27.9	Very low	31.8	Very low	82 Å²	82	116.8 Å²	116.8	85%	0.845	77%	0.772	S	S	*	*			trans	131.4	100.7	142.3	0	0	0	0	0	118
542	G	26.7	Very low	30.3	Very low	77 Å²	77	121.2 Å²	121.2	79%	0.794	79%	0.79	S	S	*	*			trans	66.3	107.8	139.9	0	0	0	0	0	118.7
543	S	25.4	Very low	29.3	Very low	120 Å²	120	123.3 Å²	123.3	84%	0.839	80%	0.797	S	S	*	*				61.6	99.4	71	-177.7	0	0	0	0	115.6
544	A	30	Very low	28.6	Very low	99 Å²	99	128 Å²	128	82%	0.818	80%	0.804	S	S	*	*				-164.8	132.4	129.6	0	0	0	0	0	110.4
545	Y	27.8	Very low	27.8	Very low	228 Å²	228	130.1 Å²	130.1	89%	0.894	81%	0.813	S	S	*	*			trans	-82.8	170	-176.8	-91.6	-92.5	0	0	0	112.9
546	P	31.9	Very low	27.6	Very low	116 Å²	116	133.5 Å²	133.5	75%	0.753	82%	0.824	S	S	*	*			trans	-102.5	175.6	-142.9	40.4	-39.2	0	0	0	116.2
547	A	24.3	Very low	27.6	Very low	93 Å²	93	128.4 Å²	128.4	77%	0.769	81%	0.812	S	S	*	*			trans	-51.2	146.4	174.4	0	0	0	0	0	116.2
548	S	25.7	Very low	27.3	Very low	116 Å²	116	125.6 Å²	125.6	81%	0.811	80%	0.803	S	S	*	*			trans	-131.4	98.4	152.5	57.5	0	0	0	0	107.5
549	V	29.2	Very low	27.4	Very low	130 Å²	130	124.8 Å²	124.8	79%	0.788	80%	0.797	S	S	*	*			trans	-121.3	115.8	164.9	-179.6	0	0	0	0	106.1	D551	V549-D551 PolarHBondContact O-N 2.94Å
550	V	27.3	Very low	27.3	Very low	129 Å²	129	127.9 Å²	127.9	78%	0.782	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-70.9	118.5	-180	173.7	0	0	0	0	108.1	L552	V550-L552 PolarHBondContact O-N 2.74Å
551	D	28.4	Very low	27.3	Very low	157 Å²	157	127.7 Å²	127.7	84%	0.84	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-69.2	121.6	172	-87.1	-37.3	0	0	0	110.2	V549	V549-D551 PolarHBondContact O-N 2.94Å
552	L	23	Very low	27.3	Very low	157 Å²	157	132.1 Å²	132.1	82%	0.822	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-81.4	136.6	168.1	-87.7	140.4	0	0	0	109.5	V550	V550-L552 PolarHBondContact O-N 2.74Å
553	P	25.2	Very low	27.6	Very low	122 Å²	122	133.9 Å²	133.9	79%	0.792	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-65.9	144	-177.3	-15.1	28.3	0	0	0	112.4
554	Q	28.1	Very low	27.7	Very low	185 Å²	185	131.3 Å²	131.3	86%	0.864	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-67	132.6	176.4	-66.8	-158.5	-19.7	0	0	111.7	T556	Q554-T556 PolarHBondContact O-N 3.19Å; Q554-T556 VanDerWaalsContact O-N 3.11Å
555	V	25.5	Very low	27.4	Very low	132 Å²	132	134.3 Å²	134.3	80%	0.8	76%	0.763	S	S	*	*			trans	-59.2	109.7	168.7	177.8	0	0	0	0	108.3	N557	V555-N557 PolarHBondContact O-N 3.4Å; V555-N557 VanDerWaalsContact O-N 3.15Å
556	T	27.9	Very low	27.6	Very low	122 Å²	122	133.1 Å²	133.1	75%	0.748	76%	0.757	S	S	*	*			trans	-62	111.6	172.5	42.6	0	0	0	0	109.3	Q554 L558	Q554-T556 PolarHBondContact O-N 3.19Å; Q554-T556 VanDerWaalsContact O-N 3.11Å; T556-L558 PolarHBondContact O-N 2.86Å
557	N	26.5	Very low	27.4	Very low	125 Å²	125	133 Å²	133	67%	0.668	76%	0.76	S	S	*	*			trans	-59.4	116.7	166.9	-78.9	-44.8	0	0	0	108.6	V555 A559	V555-N557 PolarHBondContact O-N 3.4Å; V555-N557 VanDerWaalsContact O-N 3.15Å; N557-A559 PolarHBondContact O-N 3.26Å
558	L	29.2	Very low	27.6	Very low	146 Å²	146	141.3 Å²	141.3	76%	0.764	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-64.4	0.3	-179.6	-82.3	154.9	0	0	0	114.5	T556 D560	T556-L558 PolarHBondContact O-N 2.86Å; L558-D560 VanDerWaalsContact C-N 3.31Å; L558-D560 PolarHBondContact O-N 3.02Å
559	A	29.6	Very low	27.7	Very low	89 Å²	89	142.6 Å²	142.6	74%	0.736	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-75.5	-12.6	179.4	0	0	0	0	0	114.5	N557	N557-A559 PolarHBondContact O-N 3.26Å
560	D	27.4	Very low	27.7	Very low	134 Å²	134	143.2 Å²	143.2	72%	0.717	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-93.6	1.8	177.4	-85.9	-27.2	0	0	0	114.6	L558 R562	L558-D560 VanDerWaalsContact C-N 3.31Å; L558-D560 PolarHBondContact O-N 3.02Å; D560-R562 PolarHBondContact O-N 2.86Å
561	N	26.8	Very low	27.7	Very low	122 Å²	122	144 Å²	144	65%	0.652	77%	0.769	S	S	*	*			trans	-79	66.6	168.9	-79.8	-17.1	0	0	0	111
562	R	27.6	Very low	27.6	Very low	176 Å²	176	143.2 Å²	143.2	66%	0.664	77%	0.765	S	S	*	*			trans	-63.5	136.6	159.7	-69.4	-172.8	-170.7	-177.2	5.5	108.5	D560 G564	D560-R562 PolarHBondContact O-N 2.86Å; R562-G564 VanDerWaalsContact C-N 3.3Å; R562-G564 PolarHBondContact O-N 2.74Å
563	P	32.5	Very low	27.9	Very low	114 Å²	114	142.4 Å²	142.4	74%	0.74	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	91.9	176.2	29.3	-31.8	0	0	0	108.3
564	G	28.3	Very low	28.1	Very low	65 Å²	65	143.7 Å²	143.7	67%	0.67	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	179.2	-5.3	-177.5	0	0	0	0	0	115.1	R562	R562-G564 VanDerWaalsContact C-N 3.3Å; R562-G564 PolarHBondContact O-N 2.74Å
565	Q	24	Very low	28.1	Very low	162 Å²	162	140.8 Å²	140.8	76%	0.757	75%	0.752	S	S	*	*			trans	-94.6	6.9	177.4	-125.4	178.4	2.5	0	0	115.1	S567	Q565-S567 PolarHBondContact O-N 2.87Å
566	W	31.7	Very low	28.3	Very low	203 Å²	203	141.5 Å²	141.5	77%	0.769	75%	0.749	S	S	*	*	S	Bend	trans	-79.8	98	158.5	-59.7	95.1	0	0	0	106.6	Y568	W566-Y568 PolarHBondContact O-N 2.9Å
567	S	26.4	Very low	28.3	Very low	114 Å²	114	143.1 Å²	143.1	80%	0.797	75%	0.749	S	S	*	*			trans	-59.7	124	168.5	4.9	0	0	0	0	107.4	Q565	Q565-S567 PolarHBondContact O-N 2.87Å
568	Y	30.2	Very low	28.5	Very low	267 Å²	267	144.7 Å²	144.7	100%	1.047	76%	0.756	S	S	*	*			trans	-47	0	178.3	-75.4	-85.4	0	0	0	115.6	W566	W566-Y568 PolarHBondContact O-N 2.9Å

Retrieved 568 of 568 residues in 208.9 ms (Link to these results)

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