A0A087XRK3_POEFO Loading...

Catechol-O-methyltransferase domain containing 1

AlphaFold DB , UniProt , Accession A0A087XRK3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 257 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	37.5	Very low	48.8	Very low	234 Å²	234	157.2 Å²	157.2	100%	1.153	73%	0.734	S	S	*	*				0	110.1	0	-84.9	174.8	167.6	0	0	108.2
2	Y	37.3	Very low	49.3	Very low	224 Å²	224	152.3 Å²	152.3	88%	0.878	72%	0.722	S	S	*	*			trans	-119.3	100.9	174	-144.3	-90.5	0	0	0	106.8	R4	Y2-R4 PolarHBondContact O-N 2.99Å; Y2-R4 VanDerWaalsContact O-N 3.16Å
3	Y	44.1	Very low	49.5	Very low	214 Å²	214	143.3 Å²	143.3	84%	0.839	70%	0.695	S	S	*	*			trans	-71.2	107.2	171.8	-94.6	-91.1	0	0	0	107.4	N5	Y3-N5 PolarHBondContact O-N 2.86Å
4	R	50.2	Low	49.9	Very low	226 Å²	226	138.5 Å²	138.5	85%	0.853	68%	0.684	S	S	*	*			trans	-64.4	116	169.7	-87.2	179.3	165.4	172	-4.1	108.1	Y2 I6	Y2-R4 PolarHBondContact O-N 2.99Å; Y2-R4 VanDerWaalsContact O-N 3.16Å; R4-I6 PolarHBondContact O-N 2.77Å
5	N	52.2	Low	50.1	Low	163 Å²	163	136.7 Å²	136.7	87%	0.872	68%	0.677	S	S	*	*			trans	-59.2	106.5	166.5	-90.1	-24.4	0	0	0	108.6	Y3 S7	Y3-N5 PolarHBondContact O-N 2.86Å; N5-S7 PolarHBondContact O-N 3.35Å
6	I	54.5	Low	50.5	Low	120 Å²	120	131.4 Å²	131.4	62%	0.615	66%	0.661	S	S	*	*			trans	-70.5	119.8	167.9	-59.7	177.1	0	0	0	106.1	R4 A10 L11	R4-I6 PolarHBondContact O-N 2.77Å; I6-A10 HydrophobicContact CG2-CB 3.84Å; I6-L11 HydrophobicContact CG2-CD1 4.14Å
7	S	56.3	Low	50.7	Low	59 Å²	59	129.3 Å²	129.3	41%	0.413	66%	0.657	S	S	.	*			trans	-62.3	146.3	179.3	68	0	0	0	0	110	N5 E9 A10 L11	N5-S7 PolarHBondContact O-N 3.35Å; S7-E9 PolarHBondContact O-N 3.19Å; S7-E9 VanDerWaalsContact O-N 3.11Å; S7-A10 WeakPolarHBondContact O-CB 3.39Å; S7-A10 PolarHBondContact O-N 3.26Å; S7-A10 PolarHBondContact OG-N 3.48Å; S7-L11 PolarHBondContact O-N 3.15Å; S7-L11 VanDerWaalsContact O-N 3.13Å
8	K	54	Low	51	Low	187 Å²	187	124 Å²	124	81%	0.813	64%	0.64	S	S	*	*	H	α-helix	trans	-54.7	-31.2	176.2	-71.8	-176.3	177.7	-179.2	0	111.6	L11 V12	K8-L11 PolarHBondContact O-N 3.13Å; K8-V12 WeakPolarHBondContact O-CB 3.39Å; K8-V12 WeakPolarHBondContact O-CG2 3.36Å; K8-V12 PolarHBondContact O-N 3.02Å
9	E	51.9	Low	51.4	Low	159 Å²	159	122.5 Å²	122.5	74%	0.743	64%	0.636	S	S	*	*	H	α-helix	trans	-66	-41.2	175.2	-65.6	157.5	-178.7	0	0	112.6	S7 L11 V12 G13	S7-E9 PolarHBondContact O-N 3.19Å; S7-E9 VanDerWaalsContact O-N 3.11Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-V12 PolarHBondContact O-N 3.35Å; E9-G13 PolarHBondContact O-N 3.4Å
10	A	51	Low	51.8	Low	49 Å²	49	121.7 Å²	121.7	41%	0.405	64%	0.637	S	S	.	*	H	α-helix	trans	-66	-38.4	174.8	0	0	0	0	0	111.3	I6 S7 G13 S14	I6-A10 HydrophobicContact CG2-CB 3.84Å; S7-A10 WeakPolarHBondContact O-CB 3.39Å; S7-A10 PolarHBondContact O-N 3.26Å; S7-A10 PolarHBondContact OG-N 3.48Å; A10-G13 PolarHBondContact O-N 3.5Å; A10-S14 PolarHBondContact O-N 3.04Å; A10-S14 PolarHBondContact O-OG 3.16Å
11	L	48.2	Very low	51.9	Low	94 Å²	94	123.4 Å²	123.4	49%	0.492	64%	0.64	S	S	.	*	H	α-helix	trans	-65.1	-45.4	176.5	-143.8	95.2	0	0	0	111.6	I6 S7 K8 E9 S14 L15	I6-L11 HydrophobicContact CG2-CD1 4.14Å; S7-L11 PolarHBondContact O-N 3.15Å; S7-L11 VanDerWaalsContact O-N 3.13Å; K8-L11 PolarHBondContact O-N 3.13Å; E9-L11 VanDerWaalsContact C-N 3.34Å; L11-S14 WeakPolarHBondContact CA-OG 3.42Å; L11-S14 PolarHBondContact O-N 3.27Å; L11-S14 PolarHBondContact O-OG 3.06Å; L11-L15 PolarHBondContact O-N 3.24Å
12	V	54.3	Low	52.9	Low	98 Å²	98	116.6 Å²	116.6	59%	0.594	61%	0.611	S	S	*	*	H	α-helix	trans	-66.4	-40.1	177.3	173.2	0	0	0	0	111.3	K8 E9 L15 A16	K8-V12 WeakPolarHBondContact O-CB 3.39Å; K8-V12 WeakPolarHBondContact O-CG2 3.36Å; K8-V12 PolarHBondContact O-N 3.02Å; E9-V12 PolarHBondContact O-N 3.35Å; V12-L15 PolarHBondContact O-N 3.27Å; V12-A16 VanDerWaalsContact O-CB 3.31Å; V12-A16 WeakPolarHBondContact O-CB 3.21Å; V12-A16 PolarHBondContact O-N 2.89Å
13	G	51.6	Low	53.8	Low	36 Å²	36	107.9 Å²	107.9	37%	0.371	59%	0.585	S	S	.	*	H	α-helix	trans	-61.3	-44.5	174.2	0	0	0	0	0	112.6	E9 A10 A16 V17	E9-G13 PolarHBondContact O-N 3.4Å; A10-G13 PolarHBondContact O-N 3.5Å; G13-A16 PolarHBondContact O-N 2.95Å; G13-V17 WeakPolarHBondContact O-CB 3.44Å; G13-V17 VanDerWaalsContact O-CG2 3.25Å; G13-V17 WeakPolarHBondContact O-CG2 3.31Å; G13-V17 PolarHBondContact O-N 3.1Å
14	S	55	Low	54.3	Low	76 Å²	76	99.8 Å²	99.8	53%	0.531	57%	0.567	S	S	.	*	H	α-helix	trans	-68.6	-35.4	177.4	48.6	0	0	0	0	113.8	A10 L11 G18	A10-S14 PolarHBondContact O-N 3.04Å; A10-S14 PolarHBondContact O-OG 3.16Å; L11-S14 WeakPolarHBondContact CA-OG 3.42Å; L11-S14 PolarHBondContact O-N 3.27Å; L11-S14 PolarHBondContact O-OG 3.06Å; S14-G18 PolarHBondContact O-N 2.98Å
15	L	53.6	Low	54.6	Low	111 Å²	111	96 Å²	96	58%	0.581	55%	0.553	S	S	*	*	H	α-helix	trans	-68.6	-43.6	173.5	-94.5	152	0	0	0	111.8	L11 V12 G18 V19	L11-L15 PolarHBondContact O-N 3.24Å; V12-L15 PolarHBondContact O-N 3.27Å; L15-G18 PolarHBondContact O-N 2.93Å; L15-V19 WeakPolarHBondContact O-CB 3.13Å; L15-V19 VanDerWaalsContact O-CG2 3.26Å; L15-V19 WeakPolarHBondContact O-CG2 3.32Å; L15-V19 PolarHBondContact O-N 2.92Å
16	A	56	Low	54.7	Low	52 Å²	52	92 Å²	92	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-63.9	-43.7	177.8	0	0	0	0	0	111.7	V12 G13 V19 V20	V12-A16 VanDerWaalsContact O-CB 3.31Å; V12-A16 WeakPolarHBondContact O-CB 3.21Å; V12-A16 PolarHBondContact O-N 2.89Å; G13-A16 PolarHBondContact O-N 2.95Å; A16-V19 PolarHBondContact O-N 2.87Å; A16-V20 WeakPolarHBondContact O-CB 3.32Å; A16-V20 VanDerWaalsContact O-CG2 3.23Å; A16-V20 WeakPolarHBondContact O-CG2 3.45Å; A16-V20 PolarHBondContact O-N 3.02Å
17	V	54.8	Low	54.6	Low	96 Å²	96	92.2 Å²	92.2	58%	0.582	54%	0.537	S	S	*	.	H	α-helix	trans	-65.4	-42.9	175.8	173.7	0	0	0	0	111.1	G13 V19 V20 F21	G13-V17 WeakPolarHBondContact O-CB 3.44Å; G13-V17 VanDerWaalsContact O-CG2 3.25Å; G13-V17 WeakPolarHBondContact O-CG2 3.31Å; G13-V17 PolarHBondContact O-N 3.1Å; V17-V19 PolarHBondContact O-N 2.73Å; V17-V20 PolarHBondContact O-N 3Å; V17-F21 WeakPolarHBondContact O-CB 3.35Å; V17-F21 PolarHBondContact O-N 2.99Å
18	G	56	Low	54.1	Low	34 Å²	34	92 Å²	92	35%	0.351	54%	0.543	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176.6	0	0	0	0	0	113.2	S14 L15 F21 V22	S14-G18 PolarHBondContact O-N 2.98Å; L15-G18 PolarHBondContact O-N 2.93Å; G18-F21 PolarHBondContact O-N 2.85Å; G18-V22 WeakPolarHBondContact O-CB 3.37Å; G18-V22 VanDerWaalsContact O-CG2 3.26Å; G18-V22 WeakPolarHBondContact O-CG2 3.47Å; G18-V22 PolarHBondContact O-N 2.74Å
19	V	58	Low	53.6	Low	95 Å²	95	90 Å²	90	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-68.8	-39.9	177	172	0	0	0	0	111.5	L15 A16 V17 A23	L15-V19 WeakPolarHBondContact O-CB 3.13Å; L15-V19 VanDerWaalsContact O-CG2 3.26Å; L15-V19 WeakPolarHBondContact O-CG2 3.32Å; L15-V19 PolarHBondContact O-N 2.92Å; A16-V19 PolarHBondContact O-N 2.87Å; V17-V19 PolarHBondContact O-N 2.73Å; V19-A23 WeakPolarHBondContact O-CB 3.47Å; V19-A23 PolarHBondContact O-N 3.27Å
20	V	58.8	Low	53.2	Low	106 Å²	106	90.7 Å²	90.7	64%	0.642	54%	0.535	S	S	*	.	H	α-helix	trans	-66.2	-38	175	171.5	0	0	0	0	111.3	A16 V17 G24	A16-V20 WeakPolarHBondContact O-CB 3.32Å; A16-V20 VanDerWaalsContact O-CG2 3.23Å; A16-V20 WeakPolarHBondContact O-CG2 3.45Å; A16-V20 PolarHBondContact O-N 3.02Å; V17-V20 PolarHBondContact O-N 3Å; V20-G24 PolarHBondContact O-N 3.16Å
21	F	55.5	Low	52.8	Low	159 Å²	159	96.4 Å²	96.4	70%	0.697	55%	0.551	S	S	*	*	H	α-helix	trans	-69.8	-42.1	177.4	-138.4	-91.3	0	0	0	112	V17 G18 G24 Y25	V17-F21 WeakPolarHBondContact O-CB 3.35Å; V17-F21 PolarHBondContact O-N 2.99Å; G18-F21 PolarHBondContact O-N 2.85Å; F21-G24 PolarHBondContact O-N 3.16Å; F21-Y25 WeakPolarHBondContact O-CB 3.34Å; F21-Y25 PolarHBondContact O-N 2.85Å
22	V	57.2	Low	52.4	Low	91 Å²	91	96.6 Å²	96.6	55%	0.552	56%	0.56	S	S	*	*	H	α-helix	trans	-68.3	-42.3	175.6	172.4	0	0	0	0	110.9	G18 Y25 V26	G18-V22 WeakPolarHBondContact O-CB 3.37Å; G18-V22 VanDerWaalsContact O-CG2 3.26Å; G18-V22 WeakPolarHBondContact O-CG2 3.47Å; G18-V22 PolarHBondContact O-N 2.74Å; V22-Y25 PolarHBondContact O-N 2.68Å; V22-V26 HydrophobicContact CG1-CG2 4.15Å; V22-V26 VanDerWaalsContact O-CB 3.26Å; V22-V26 WeakPolarHBondContact O-CB 3.29Å; V22-V26 WeakPolarHBondContact O-CG2 3.14Å; V22-V26 PolarHBondContact O-N 2.96Å
23	A	56.6	Low	51.9	Low	40 Å²	40	100.7 Å²	100.7	33%	0.331	57%	0.57	S	S	.	*	H	α-helix	trans	-62.6	-44.5	173.9	0	0	0	0	0	111.2	V19 Y25 V26 L27	V19-A23 WeakPolarHBondContact O-CB 3.47Å; V19-A23 PolarHBondContact O-N 3.27Å; A23-Y25 PolarHBondContact O-N 2.81Å; A23-V26 PolarHBondContact O-N 2.89Å; A23-L27 HydrophobicContact CB-CD1 4.37Å; A23-L27 WeakPolarHBondContact O-CB 3.41Å; A23-L27 WeakPolarHBondContact O-CD1 3.38Å; A23-L27 WeakPolarHBondContact O-CG 3.49Å; A23-L27 PolarHBondContact O-N 3.4Å
24	G	54.7	Low	51.8	Low	44 Å²	44	109.5 Å²	109.5	45%	0.454	59%	0.592	S	S	.	*	H	α-helix	trans	-63.1	-38.1	175.2	0	0	0	0	0	113.3	V20 F21 G28	V20-G24 PolarHBondContact O-N 3.16Å; F21-G24 PolarHBondContact O-N 3.16Å; G24-G28 WeakPolarHBondContact O-CA 3.23Å; G24-G28 PolarHBondContact O-N 3.43Å
25	Y	56.4	Low	51.6	Low	146 Å²	146	113.2 Å²	113.2	57%	0.573	60%	0.603	S	S	*	*	H	α-helix	trans	-71.7	-39.8	176	-175.1	-97.7	0	0	0	112.5	F21 V22 A23 K29	F21-Y25 WeakPolarHBondContact O-CB 3.34Å; F21-Y25 PolarHBondContact O-N 2.85Å; V22-Y25 PolarHBondContact O-N 2.68Å; A23-Y25 PolarHBondContact O-N 2.81Å; Y25-K29 HydrophobicContact CE1-CD 4.22Å; Y25-K29 PolarHBondContact O-N 2.76Å; Y25-K29 VanDerWaalsContact O-N 3.11Å; Y25-K29 VanDerWaalsContact OH-CE 3.3Å; Y25-K29 WeakPolarHBondContact OH-CE 3.47Å; Y25-K29 PolarHBondContact OH-NZ 3.16Å
26	V	54	Low	52.3	Low	80 Å²	80	111.3 Å²	111.3	49%	0.485	60%	0.599	S	S	.	*	H	α-helix	trans	-74.5	-37.5	177.7	172.2	0	0	0	0	111.7	V22 A23	V22-V26 HydrophobicContact CG1-CG2 4.15Å; V22-V26 VanDerWaalsContact O-CB 3.26Å; V22-V26 WeakPolarHBondContact O-CB 3.29Å; V22-V26 WeakPolarHBondContact O-CG2 3.14Å; V22-V26 PolarHBondContact O-N 2.96Å; A23-V26 PolarHBondContact O-N 2.89Å
27	L	52.2	Low	53.4	Low	125 Å²	125	111.7 Å²	111.7	65%	0.654	59%	0.593	S	S	*	*	H	α-helix	trans	-72.4	-35.5	172.9	-72.5	161	0	0	0	111.3	A23 K29 K30	A23-L27 HydrophobicContact CB-CD1 4.37Å; A23-L27 WeakPolarHBondContact O-CB 3.41Å; A23-L27 WeakPolarHBondContact O-CD1 3.38Å; A23-L27 WeakPolarHBondContact O-CG 3.49Å; A23-L27 PolarHBondContact O-N 3.4Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 3.05Å; L27-K30 PolarHBondContact O-N 3.45Å; L27-K30 VanDerWaalsContact O-N 3.17Å
28	G	45.8	Very low	54.9	Low	54 Å²	54	107.7 Å²	107.7	56%	0.557	57%	0.57	S	S	*	*	H	α-helix	trans	-66.2	-31.2	175.2	0	0	0	0	0	113.6	G24 K30	G24-G28 WeakPolarHBondContact O-CA 3.23Å; G24-G28 PolarHBondContact O-N 3.43Å; G28-K30 VanDerWaalsContact C-N 3.27Å; G28-K30 PolarHBondContact O-N 3.43Å
29	K	43.7	Very low	56.6	Low	144 Å²	144	107.1 Å²	107.1	63%	0.626	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-12.6	172.5	-83	-170.1	176.7	179.9	0	114.5	Y25 L27	Y25-K29 HydrophobicContact CE1-CD 4.22Å; Y25-K29 PolarHBondContact O-N 2.76Å; Y25-K29 VanDerWaalsContact O-N 3.11Å; Y25-K29 VanDerWaalsContact OH-CE 3.3Å; Y25-K29 WeakPolarHBondContact OH-CE 3.47Å; Y25-K29 PolarHBondContact OH-NZ 3.16Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 3.05Å
30	K	44.2	Very low	58.1	Low	174 Å²	174	102.9 Å²	102.9	76%	0.757	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-3.6	-175.1	-89.6	-173.8	175.4	-178.1	0	115.7	L27 G28	L27-K30 PolarHBondContact O-N 3.45Å; L27-K30 VanDerWaalsContact O-N 3.17Å; G28-K30 VanDerWaalsContact C-N 3.27Å; G28-K30 PolarHBondContact O-N 3.43Å
31	K	42.6	Very low	59.6	Low	170 Å²	170	99.2 Å²	99.2	74%	0.739	51%	0.508	S	S	*	.			trans	-121.6	76.4	164.7	-80.6	-177.2	176.1	179	0	108.8	F33	K31-F33 PolarHBondContact O-N 2.9Å
32	S	39.6	Very low	61.1	Low	98 Å²	98	95 Å²	95	69%	0.685	50%	0.495	S	S	*	.			trans	-56.3	105	146.4	178.6	0	0	0	0	105.1	R34	S32-R34 PolarHBondContact O-N 3.03Å
33	F	43.4	Very low	62.3	Low	184 Å²	184	92.9 Å²	92.9	81%	0.807	49%	0.492	S	S	*	.			trans	-69.1	70.1	167.1	-131.2	-88.9	0	0	0	105.3	K31 M35	K31-F33 PolarHBondContact O-N 2.9Å; F33-M35 VanDerWaalsContact C-N 3.29Å; F33-M35 PolarHBondContact O-N 3.21Å
34	R	48.9	Very low	63.6	Low	220 Å²	220	91 Å²	91	83%	0.83	48%	0.477	S	S	*	.			trans	-68.3	100.1	174.2	-144.8	-179.7	-173.2	-177.1	0	103	S32 S36	S32-R34 PolarHBondContact O-N 3.03Å; R34-S36 VanDerWaalsContact C-N 3.27Å; R34-S36 PolarHBondContact O-N 2.86Å
35	M	52.2	Low	65.1	Low	154 Å²	154	95.1 Å²	95.1	76%	0.759	48%	0.482	S	S	*	.			trans	-56.1	104.5	165.6	-78.1	-162.9	-66.2	0	0	105.6	F33 I37	F33-M35 VanDerWaalsContact C-N 3.29Å; F33-M35 PolarHBondContact O-N 3.21Å; M35-I37 PolarHBondContact O-N 3.5Å
36	S	67.1	Low	66.7	Low	72 Å²	72	95 Å²	95	50%	0.503	49%	0.491	S	S	.	.			trans	-79.3	82.2	177.7	-173.8	0	0	0	0	106.9	R34 S38	R34-S36 VanDerWaalsContact C-N 3.27Å; R34-S36 PolarHBondContact O-N 2.86Å; S36-S38 PolarHBondContact O-N 2.73Å; S36-S38 PolarHBondContact O-OG 3.23Å
37	I	80.4	Confident	68.4	Low	59 Å²	59	93.6 Å²	93.6	30%	0.303	48%	0.481	S	S	.	.			trans	-68.8	117.2	169.8	-60.7	158.1	0	0	0	105.9	M35 L209 T246 G248	M35-I37 PolarHBondContact O-N 3.5Å; I37-L209 HydrophobicContact CD1-CD1 4.34Å; I37-L209 HydrophobicContact CG2-CD1 4.29Å; I37-T246 HydrophobicContact CD1-CG2 3.5Å; I37-G248 WeakPolarHBondContact CG2-O 3.27Å
38	S	86.4	Confident	70.4	Confident	13 Å²	13	92.7 Å²	92.7	9%	0.091	48%	0.483	C	S	.	.			trans	-162.3	157.5	-177.1	49.2	0	0	0	0	110	S36 S40 G43 G44 G248	S36-S38 PolarHBondContact O-N 2.73Å; S36-S38 PolarHBondContact O-OG 3.23Å; S38-S40 PolarHBondContact O-N 2.99Å; S38-G43 WeakPolarHBondContact OG-CA 3.48Å; S38-G43 PolarHBondContact OG-O 3.38Å; S38-G44 PolarHBondContact OG-N 3.11Å; S38-G248 CarbonylContact C-O 3.51Å; S38-G248 WeakPolarHBondContact CA-O 3.41Å; S38-G248 PolarHBondContact N-O 3.05Å
39	K	91.2	Very high	72.6	Confident	21 Å²	21	96 Å²	96	9%	0.091	49%	0.487	C	S	.	.			trans	-54.9	134.6	174.7	-63.9	-167.5	178.2	-179	0	111.1	H41 V42 G43 G44 F78 M79 M80 P82	K39-H41 PolarHBondContact O-N 3.23Å; K39-V42 HydrophobicContact CB-CB 4.16Å; K39-V42 HydrophobicContact CB-CG2 3.97Å; K39-V42 HydrophobicContact CD-CG2 4.47Å; K39-V42 CarbonylContact O-C 3.58Å; K39-V42 PolarHBondContact O-N 3.13Å; K39-G43 PolarHBondContact O-N 2.97Å; K39-G44 WeakPolarHBondContact O-CA 3.26Å; K39-G44 PolarHBondContact O-N 3.3Å; K39-F78 PolarHBondContact NZ-O 3.38Å; K39-M79 PolarHBondContact NZ-O 3.48Å; K39-M80 PolarHBondContact NZ-O 2.89Å; K39-M80 VanDerWaalsContact NZ-O 3.1Å; K39-P82 HydrophobicContact CB-CG 3.63Å; K39-P82 HydrophobicContact CD-CG 4.09Å; K39-P82 HydrophobicContact CG-CG 3.55Å
40	S	89.5	Confident	75	Confident	7 Å²	7	91 Å²	91	5%	0.049	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.2	-177.8	58.1	0	0	0	0	115.4	S38 G44 K45 E84	S38-S40 PolarHBondContact O-N 2.99Å; S40-G44 CarbonylContact O-C 3.58Å; S40-K45 WeakPolarHBondContact O-CA 3.43Å; S40-K45 PolarHBondContact O-N 3.46Å; S40-K45 VanDerWaalsContact O-N 3.17Å; S40-E84 VanDerWaalsContact CB-OE1 3.25Å; S40-E84 WeakPolarHBondContact CB-OE1 3.35Å; S40-E84 WeakPolarHBondContact CB-OE2 3.27Å; S40-E84 VanDerWaalsContact OG-CD 3.3Å; S40-E84 PolarHBondContact OG-OE1 2.86Å; S40-E84 PolarHBondContact OG-OE2 3.32Å
41	H	89.7	Confident	77.4	Confident	29 Å²	29	85.6 Å²	85.6	13%	0.134	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-1.6	176.7	60.5	-83.7	0	0	0	113.5	K39 M72 N77 M80	K39-H41 PolarHBondContact O-N 3.23Å; H41-M72 HydrophobicContact CB-SD 3.9Å; H41-N77 PolarHBondContact NE2-O 3.4Å; H41-M80 PolarHBondContact CE1-O 2.86Å; H41-M80 PolarHBondContact NE2-O 3.11Å
42	V	88.2	Confident	79.9	Confident	70 Å²	70	84.2 Å²	84.2	42%	0.424	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-112.8	176.9	-165.7	0	0	0	0	108.8	K39 G44 K45 F78	K39-V42 HydrophobicContact CB-CB 4.16Å; K39-V42 HydrophobicContact CB-CG2 3.97Å; K39-V42 HydrophobicContact CD-CG2 4.47Å; K39-V42 CarbonylContact O-C 3.58Å; K39-V42 PolarHBondContact O-N 3.13Å; V42-G44 PolarHBondContact O-N 2.84Å; V42-G44 VanDerWaalsContact O-N 3.13Å; V42-K45 VanDerWaalsContact O-CB 3.3Å; V42-K45 WeakPolarHBondContact O-CB 3.35Å; V42-K45 PolarHBondContact O-N 3.38Å; V42-K45 VanDerWaalsContact O-N 3.14Å; V42-F78 HydrophobicContact CG2-CB 3.91Å
43	G	81.4	Confident	82.6	Confident	47 Å²	47	82.4 Å²	82.4	49%	0.485	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.1	-177.4	0	0	0	0	0	114.6	S38 K39	S38-G43 WeakPolarHBondContact OG-CA 3.48Å; S38-G43 PolarHBondContact OG-O 3.38Å; K39-G43 PolarHBondContact O-N 2.97Å
44	G	84.2	Confident	85.1	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.01	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.5	179.2	0	0	0	0	0	114	S38 K39 S40 V42 D46 N47	S38-G44 PolarHBondContact OG-N 3.11Å; K39-G44 WeakPolarHBondContact O-CA 3.26Å; K39-G44 PolarHBondContact O-N 3.3Å; S40-G44 CarbonylContact O-C 3.58Å; V42-G44 PolarHBondContact O-N 2.84Å; V42-G44 VanDerWaalsContact O-N 3.13Å; G44-D46 PolarHBondContact O-N 3.27Å; G44-N47 WeakPolarHBondContact O-CB 3.18Å; G44-N47 PolarHBondContact O-N 2.96Å
45	K	86.9	Confident	87.3	Confident	129 Å²	129	70.2 Å²	70.2	56%	0.561	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-43.9	-171.5	-176.2	-178.4	175.3	-176.3	0	112.9	S40 V42 Q51	S40-K45 WeakPolarHBondContact O-CA 3.43Å; S40-K45 PolarHBondContact O-N 3.46Å; S40-K45 VanDerWaalsContact O-N 3.17Å; V42-K45 VanDerWaalsContact O-CB 3.3Å; V42-K45 WeakPolarHBondContact O-CB 3.35Å; V42-K45 PolarHBondContact O-N 3.38Å; V42-K45 VanDerWaalsContact O-N 3.14Å; K45-Q51 PolarHBondContact O-NE2 2.8Å
46	D	89	Confident	89.5	Confident	143 Å²	143	69 Å²	69	77%	0.765	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	7.2	-177.2	-56	-43.7	0	0	0	112.8	G44 P48	G44-D46 PolarHBondContact O-N 3.27Å; D46-P48 VanDerWaalsContact O-CD 3.28Å; D46-P48 WeakPolarHBondContact O-CD 3.46Å
47	N	90.8	Very high	90.9	Very high	52 Å²	52	68.5 Å²	68.5	28%	0.278	37%	0.368	S	S	.	.			trans	-78.3	115.9	178.6	-179.6	-29.8	0	0	0	110.2	G44 L49 M50 Q51	G44-N47 WeakPolarHBondContact O-CB 3.18Å; G44-N47 PolarHBondContact O-N 2.96Å; N47-L49 VanDerWaalsContact C-N 3.27Å; N47-L49 PolarHBondContact O-N 3.46Å; N47-L49 WeakPolarHBondContact OD1-CB 3.39Å; N47-L49 PolarHBondContact OD1-N 3.07Å; N47-M50 HydrophobicContact CB-CB 3.88Å; N47-M50 PolarHBondContact O-N 3.15Å; N47-M50 VanDerWaalsContact O-N 3.09Å; N47-M50 PolarHBondContact OD1-N 2.66Å; N47-Q51 WeakPolarHBondContact O-CG 3.36Å; N47-Q51 PolarHBondContact O-N 3.07Å
48	P	93.1	Very high	91.7	Very high	106 Å²	106	68 Å²	68	69%	0.688	37%	0.366	S	S	*	.	H	α-helix	trans	-61.5	-32.8	-176.9	-24.1	34.9	0	0	0	114	D46 Q51 Y52	D46-P48 VanDerWaalsContact O-CD 3.28Å; D46-P48 WeakPolarHBondContact O-CD 3.46Å; P48-Q51 PolarHBondContact O-N 2.83Å; P48-Y52 PolarHBondContact O-N 2.8Å
49	L	92.6	Very high	92.2	Very high	123 Å²	123	78.2 Å²	78.2	64%	0.644	40%	0.402	S	S	*	.	H	α-helix	trans	-71.2	-39.7	176.9	-179.3	60.6	0	0	0	111.1	N47 Y52 V53	N47-L49 VanDerWaalsContact C-N 3.27Å; N47-L49 PolarHBondContact O-N 3.46Å; N47-L49 WeakPolarHBondContact OD1-CB 3.39Å; N47-L49 PolarHBondContact OD1-N 3.07Å; L49-Y52 WeakPolarHBondContact O-CB 3.45Å; L49-Y52 PolarHBondContact O-N 2.99Å; L49-V53 WeakPolarHBondContact O-CG2 3.07Å; L49-V53 PolarHBondContact O-N 2.86Å
50	M	93.7	Very high	92.4	Very high	38 Å²	38	78.8 Å²	78.8	19%	0.187	41%	0.405	C	S	.	.	H	α-helix	trans	-63.2	-44.1	173.4	-176.4	56.2	75.9	0	0	110.6	N47 Y52 V53 L54 E84	N47-M50 HydrophobicContact CB-CB 3.88Å; N47-M50 PolarHBondContact O-N 3.15Å; N47-M50 VanDerWaalsContact O-N 3.09Å; N47-M50 PolarHBondContact OD1-N 2.66Å; M50-Y52 VanDerWaalsContact C-N 3.28Å; M50-Y52 PolarHBondContact O-N 2.68Å; M50-V53 WeakPolarHBondContact O-CB 3.38Å; M50-V53 PolarHBondContact O-N 3.36Å; M50-V53 VanDerWaalsContact O-N 3.09Å; M50-L54 WeakPolarHBondContact O-CG 3.4Å; M50-L54 PolarHBondContact O-N 3.16Å; M50-E84 HydrophobicContact SD-CG 4.41Å
51	Q	94.4	Very high	92.8	Very high	62 Å²	62	82 Å²	82	29%	0.29	42%	0.42	S	S	.	.	H	α-helix	trans	-60.4	-38.2	174.8	-66.8	-53.7	-44	0	0	112.2	K45 N47 P48 L54 N55	K45-Q51 PolarHBondContact O-NE2 2.8Å; N47-Q51 WeakPolarHBondContact O-CG 3.36Å; N47-Q51 PolarHBondContact O-N 3.07Å; P48-Q51 PolarHBondContact O-N 2.83Å; Q51-L54 PolarHBondContact O-N 3.32Å; Q51-N55 VanDerWaalsContact O-CB 3.27Å; Q51-N55 WeakPolarHBondContact O-CB 3.12Å; Q51-N55 PolarHBondContact O-N 3.35Å; Q51-N55 PolarHBondContact O-ND2 3.35Å
52	Y	95.6	Very high	93.3	Very high	140 Å²	140	85.1 Å²	85.1	55%	0.549	44%	0.442	S	S	.	.	H	α-helix	trans	-60	-46.2	172.5	-175	-88	0	0	0	111.7	P48 L49 M50 L54 N55 H56	P48-Y52 PolarHBondContact O-N 2.8Å; L49-Y52 WeakPolarHBondContact O-CB 3.45Å; L49-Y52 PolarHBondContact O-N 2.99Å; M50-Y52 VanDerWaalsContact C-N 3.28Å; M50-Y52 PolarHBondContact O-N 2.68Å; Y52-L54 PolarHBondContact O-N 2.95Å; Y52-N55 PolarHBondContact O-N 2.79Å; Y52-H56 AromaticContact CD1-ND1 3.98Å; Y52-H56 AromaticContact CD2-CE1 3.35Å; Y52-H56 WeakPolarHBondContact CD2-CE1 3.34Å; Y52-H56 AromaticContact CD2-ND1 3.5Å; Y52-H56 WeakPolarHBondContact CD2-ND1 3.3Å; Y52-H56 HydrophobicContact CE1-CB 4.5Å; Y52-H56 AromaticContact CE2-CE1 3.27Å; Y52-H56 WeakPolarHBondContact CE2-CE1 3.46Å; Y52-H56 AromaticContact CE2-ND1 3.55Å; Y52-H56 AromaticContact CE2-NE2 3.7Å; Y52-H56 AromaticContact CG-ND1 3.71Å; Y52-H56 AromaticContact CZ-CE1 3.92Å; Y52-H56 AromaticContact CZ-ND1 3.82Å; Y52-H56 WeakPolarHBondContact O-CB 3.47Å; Y52-H56 PolarHBondContact O-N 3.21Å; Y52-H56 VanDerWaalsContact O-N 3.09Å; Y52-H56 PolarHBondContact O-ND1 3.16Å
53	V	95.5	Very high	93.8	Very high	61 Å²	61	82.4 Å²	82.4	37%	0.37	43%	0.426	S	S	.	.	H	α-helix	trans	-57.9	-49.2	175.8	171.1	0	0	0	0	111.1	L49 M50 N55 H56 S57	L49-V53 WeakPolarHBondContact O-CG2 3.07Å; L49-V53 PolarHBondContact O-N 2.86Å; M50-V53 WeakPolarHBondContact O-CB 3.38Å; M50-V53 PolarHBondContact O-N 3.36Å; M50-V53 VanDerWaalsContact O-N 3.09Å; V53-N55 PolarHBondContact O-N 2.9Å; V53-H56 PolarHBondContact O-N 3.43Å; V53-S57 WeakPolarHBondContact O-CB 3.41Å; V53-S57 PolarHBondContact O-N 3.05Å
54	L	95.6	Very high	94.5	Very high	25 Å²	25	80.4 Å²	80.4	13%	0.131	40%	0.404	C	S	.	.	H	α-helix	trans	-61.2	-47.9	179.8	-63.4	-179.3	0	0	0	111.7	M50 Q51 Y52 H56 L58 E84	M50-L54 WeakPolarHBondContact O-CG 3.4Å; M50-L54 PolarHBondContact O-N 3.16Å; Q51-L54 PolarHBondContact O-N 3.32Å; Y52-L54 PolarHBondContact O-N 2.95Å; L54-H56 VanDerWaalsContact C-N 3.26Å; L54-H56 PolarHBondContact O-N 2.84Å; L54-L58 HydrophobicContact CD2-CD2 4.43Å; L54-L58 WeakPolarHBondContact O-CB 3.25Å; L54-L58 PolarHBondContact O-N 3.06Å; L54-L58 VanDerWaalsContact O-N 3.13Å; L54-E84 HydrophobicContact CD2-CB 4.06Å
55	N	96.6	Very high	95.2	Very high	122 Å²	122	85.5 Å²	85.5	65%	0.652	43%	0.426	S	S	*	.	H	α-helix	trans	-67.5	-24.3	-176	-70	-21.5	0	0	0	113.7	Q51 Y52 V53	Q51-N55 VanDerWaalsContact O-CB 3.27Å; Q51-N55 WeakPolarHBondContact O-CB 3.12Å; Q51-N55 PolarHBondContact O-N 3.35Å; Q51-N55 PolarHBondContact O-ND2 3.35Å; Y52-N55 PolarHBondContact O-N 2.79Å; V53-N55 PolarHBondContact O-N 2.9Å
56	H	97.4	Very high	95.8	Very high	128 Å²	128	81.7 Å²	81.7	59%	0.593	42%	0.416	S	S	*	.	H	α-helix	trans	-112.2	-11.8	-174.6	-60.5	84.4	0	0	0	114.1	Y52 V53 L54	Y52-H56 AromaticContact CD1-ND1 3.98Å; Y52-H56 AromaticContact CD2-CE1 3.35Å; Y52-H56 WeakPolarHBondContact CD2-CE1 3.34Å; Y52-H56 AromaticContact CD2-ND1 3.5Å; Y52-H56 WeakPolarHBondContact CD2-ND1 3.3Å; Y52-H56 HydrophobicContact CE1-CB 4.5Å; Y52-H56 AromaticContact CE2-CE1 3.27Å; Y52-H56 WeakPolarHBondContact CE2-CE1 3.46Å; Y52-H56 AromaticContact CE2-ND1 3.55Å; Y52-H56 AromaticContact CE2-NE2 3.7Å; Y52-H56 AromaticContact CG-ND1 3.71Å; Y52-H56 AromaticContact CZ-CE1 3.92Å; Y52-H56 AromaticContact CZ-ND1 3.82Å; Y52-H56 WeakPolarHBondContact O-CB 3.47Å; Y52-H56 PolarHBondContact O-N 3.21Å; Y52-H56 VanDerWaalsContact O-N 3.09Å; Y52-H56 PolarHBondContact O-ND1 3.16Å; V53-H56 PolarHBondContact O-N 3.43Å; L54-H56 VanDerWaalsContact C-N 3.26Å; L54-H56 PolarHBondContact O-N 2.84Å
57	S	96.4	Very high	96.2	Very high	62 Å²	62	74.9 Å²	74.9	43%	0.434	38%	0.379	S	S	.	.	H	α-helix	trans	-122.6	-29.1	-178.4	-172.3	0	0	0	0	114.9	V53 R59 Q87	V53-S57 WeakPolarHBondContact O-CB 3.41Å; V53-S57 PolarHBondContact O-N 3.05Å; S57-R59 PolarHBondContact O-N 2.94Å; S57-Q87 PolarHBondContact O-NE2 2.91Å
58	L	97.3	Very high	96.6	Very high	48 Å²	48	74.7 Å²	74.7	25%	0.251	37%	0.374	S	S	.	.			trans	-73.9	129.6	-170.7	-172.9	69.3	0	0	0	111.5	L54 E60 C83 Q87	L54-L58 HydrophobicContact CD2-CD2 4.43Å; L54-L58 WeakPolarHBondContact O-CB 3.25Å; L54-L58 PolarHBondContact O-N 3.06Å; L54-L58 VanDerWaalsContact O-N 3.13Å; L58-E60 HydrophobicContact CD1-CB 4.31Å; L58-E60 HydrophobicContact CD2-CB 4.19Å; L58-E60 HydrophobicContact CG-CB 4.05Å; L58-C83 HydrophobicContact CD1-CB 3.94Å; L58-C83 HydrophobicContact CD2-CB 4.18Å; L58-C83 VanDerWaalsContact CD2-SG 3.6Å; L58-Q87 HydrophobicContact CD1-CB 4.45Å
59	R	96.9	Very high	96.8	Very high	228 Å²	228	73.9 Å²	73.9	86%	0.86	36%	0.364	S	S	*	.			trans	-128.9	60.6	176.6	-61.7	-178.4	-174.8	-177	1.2	109.2	S57	S57-R59 PolarHBondContact O-N 2.94Å
60	E	96.4	Very high	97.1	Very high	34 Å²	34	72.4 Å²	72.4	16%	0.159	35%	0.35	C	S	.	.			trans	-71.3	131.3	-176	-170.3	176.2	-142.2	0	0	111.2	L58 L64 K65 R68 Y110	L58-E60 HydrophobicContact CD1-CB 4.31Å; L58-E60 HydrophobicContact CD2-CB 4.19Å; L58-E60 HydrophobicContact CG-CB 4.05Å; E60-L64 HydrophobicContact CG-CB 4.22Å; E60-L64 HydrophobicContact CG-CD2 4.15Å; E60-L64 HydrophobicContact CG-CG 4.16Å; E60-K65 VanDerWaalsContact CD-CA 3.49Å; E60-K65 HydrophobicContact CG-CB 3.98Å; E60-K65 WeakPolarHBondContact OE2-CB 3.48Å; E60-K65 WeakPolarHBondContact OE2-CG 3.44Å; E60-R68 WeakPolarHBondContact OE1-CD 3.4Å; E60-R68 IonicContact OE1-CZ 3.34Å; E60-R68 IonicContact OE1-NE 2.77Å; E60-R68 PolarHBondContact OE1-NE 3.46Å; E60-R68 IonicContact OE1-NH2 2.6Å; E60-R68 IonicContact OE2-CZ 3.34Å; E60-R68 IonicContact OE2-NE 3.18Å; E60-R68 PolarHBondContact OE2-NE 3.4Å; E60-R68 VanDerWaalsContact OE2-NE 3.16Å; E60-R68 IonicContact OE2-NH2 3.34Å; E60-R68 PolarHBondContact OE2-NH2 3.2Å; E60-Y110 WeakPolarHBondContact OE1-CE2 3.44Å; E60-Y110 PolarHBondContact OE1-OH 2.77Å
61	H	98.2	Very high	97.3	Very high	75 Å²	75	70.6 Å²	70.6	35%	0.347	34%	0.341	S	S	.	.			trans	-60.2	141.4	174.6	-176.5	-95.2	0	0	0	110.6	V63 L64 K65 L117	H61-V63 VanDerWaalsContact C-N 3.34Å; H61-V63 PolarHBondContact ND1-N 2.73Å; H61-V63 PolarHBondContact O-N 3.01Å; H61-L64 HydrophobicContact CB-CB 3.9Å; H61-L64 WeakPolarHBondContact O-CA 3.42Å; H61-L64 WeakPolarHBondContact O-CB 3.19Å; H61-L64 PolarHBondContact O-N 2.88Å; H61-K65 PolarHBondContact O-N 2.98Å; H61-L117 HydrophobicContact CB-CD1 3.88Å
62	P	98.4	Very high	97.5	Very high	93 Å²	93	70 Å²	70	60%	0.604	34%	0.339	S	S	*	.	H	α-helix	trans	-54.3	-45.3	-176.8	-28.9	36.1	0	0	0	114	L64 K65 S66	P62-L64 VanDerWaalsContact C-N 3.32Å; P62-L64 PolarHBondContact O-N 2.77Å; P62-K65 WeakPolarHBondContact O-CB 3.46Å; P62-K65 PolarHBondContact O-N 3.5Å; P62-S66 PolarHBondContact O-N 2.82Å; P62-S66 PolarHBondContact O-OG 2.98Å
63	V	98.6	Very high	97.5	Very high	13 Å²	13	70.4 Å²	70.4	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-67.5	-34.6	178.3	-175.6	0	0	0	0	111.7	H61 S66 L67 L113 F141 E144 A145	H61-V63 VanDerWaalsContact C-N 3.34Å; H61-V63 PolarHBondContact ND1-N 2.73Å; H61-V63 PolarHBondContact O-N 3.01Å; V63-S66 WeakPolarHBondContact O-CB 3.46Å; V63-S66 PolarHBondContact O-N 3.49Å; V63-L67 PolarHBondContact O-N 3.45Å; V63-L113 HydrophobicContact CG1-CD2 4.27Å; V63-F141 HydrophobicContact CG1-CB 3.9Å; V63-F141 HydrophobicContact CG1-CD1 4.15Å; V63-F141 VanDerWaalsContact CG1-O 3.25Å; V63-F141 WeakPolarHBondContact CG1-O 3.45Å; V63-E144 HydrophobicContact CG1-CB 4.07Å; V63-E144 HydrophobicContact CG1-CG 4.17Å; V63-E144 HydrophobicContact CG2-CG 3.97Å; V63-A145 HydrophobicContact CB-CB 4.13Å; V63-A145 HydrophobicContact CG1-CB 3.93Å; V63-A145 HydrophobicContact CG2-CB 4.34Å
64	L	98	Very high	97.6	Very high	5 Å²	5	68.8 Å²	68.8	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-66.6	-41.8	176.3	-174.4	64.5	0	0	0	110.5	E60 H61 P62 L67 R68 Y110 L113 N114 L117	E60-L64 HydrophobicContact CG-CB 4.22Å; E60-L64 HydrophobicContact CG-CD2 4.15Å; E60-L64 HydrophobicContact CG-CG 4.16Å; H61-L64 HydrophobicContact CB-CB 3.9Å; H61-L64 WeakPolarHBondContact O-CA 3.42Å; H61-L64 WeakPolarHBondContact O-CB 3.19Å; H61-L64 PolarHBondContact O-N 2.88Å; P62-L64 VanDerWaalsContact C-N 3.32Å; P62-L64 PolarHBondContact O-N 2.77Å; L64-L67 PolarHBondContact O-N 3.47Å; L64-R68 PolarHBondContact O-N 3.36Å; L64-Y110 HydrophobicContact CB-CE2 4.5Å; L64-Y110 HydrophobicContact CD1-CD1 4.38Å; L64-Y110 HydrophobicContact CD1-CD2 3.45Å; L64-Y110 VanDerWaalsContact CD1-CD2 3.45Å; L64-Y110 HydrophobicContact CD1-CE1 4.32Å; L64-Y110 HydrophobicContact CD1-CE2 3.36Å; L64-Y110 HydrophobicContact CD1-CG 3.98Å; L64-Y110 VanDerWaalsContact CD1-O 3.26Å; L64-Y110 WeakPolarHBondContact CD1-O 3.4Å; L64-Y110 HydrophobicContact CD2-CE2 4.2Å; L64-Y110 HydrophobicContact CG-CD2 4.01Å; L64-Y110 HydrophobicContact CG-CE2 3.36Å; L64-Y110 WeakPolarHBondContact O-CE2 3.34Å; L64-L113 HydrophobicContact CB-CD2 4.33Å; L64-L113 HydrophobicContact CD1-CB 4.02Å; L64-L113 HydrophobicContact CD1-CD2 3.91Å; L64-L113 HydrophobicContact CD1-CG 3.9Å; L64-N114 HydrophobicContact CD1-CB 4.06Å; L64-N114 HydrophobicContact CD2-CB 3.85Å; L64-L117 HydrophobicContact CB-CD1 4.45Å
65	K	98.4	Very high	97.6	Very high	108 Å²	108	72.1 Å²	72.1	47%	0.47	36%	0.36	S	S	.	.	H	α-helix	trans	-60.3	-43.7	171.1	-179.3	175.3	179	-178.2	0	111.9	E60 H61 P62 R68 L69	E60-K65 VanDerWaalsContact CD-CA 3.49Å; E60-K65 HydrophobicContact CG-CB 3.98Å; E60-K65 WeakPolarHBondContact OE2-CB 3.48Å; E60-K65 WeakPolarHBondContact OE2-CG 3.44Å; H61-K65 PolarHBondContact O-N 2.98Å; P62-K65 WeakPolarHBondContact O-CB 3.46Å; P62-K65 PolarHBondContact O-N 3.5Å; K65-R68 WeakPolarHBondContact O-CB 3.41Å; K65-R68 PolarHBondContact O-N 2.84Å; K65-L69 HydrophobicContact CG-CD1 4.35Å; K65-L69 WeakPolarHBondContact O-CG 3.36Å; K65-L69 PolarHBondContact O-N 3.03Å
66	S	98.6	Very high	97.5	Very high	50 Å²	50	72.2 Å²	72.2	35%	0.35	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-46.7	176.4	-63.4	0	0	0	0	111.7	P62 V63 R68 L69 R70	P62-S66 PolarHBondContact O-N 2.82Å; P62-S66 PolarHBondContact O-OG 2.98Å; V63-S66 WeakPolarHBondContact O-CB 3.46Å; V63-S66 PolarHBondContact O-N 3.49Å; S66-R68 PolarHBondContact O-N 2.85Å; S66-L69 PolarHBondContact O-N 3.43Å; S66-R70 PolarHBondContact O-N 3.42Å
67	L	98.7	Very high	97.5	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-58.9	-47.7	174.8	175.5	53.6	0	0	0	110.9	V63 L64 L69 R70 T71 L113 I137 F141	V63-L67 PolarHBondContact O-N 3.45Å; L64-L67 PolarHBondContact O-N 3.47Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 3.04Å; L67-R70 CarbonylContact O-C 3.56Å; L67-R70 WeakPolarHBondContact O-CB 3.41Å; L67-R70 PolarHBondContact O-N 2.9Å; L67-R70 VanDerWaalsContact O-N 3.09Å; L67-T71 PolarHBondContact O-N 3.38Å; L67-T71 PolarHBondContact O-OG1 2.84Å; L67-L113 HydrophobicContact CB-CD2 4.34Å; L67-L113 HydrophobicContact CD2-CB 4.25Å; L67-L113 HydrophobicContact CD2-CD2 3.79Å; L67-I137 HydrophobicContact CD1-CG2 4.48Å; L67-F141 HydrophobicContact CB-CB 4.09Å; L67-F141 HydrophobicContact CB-CD1 4.02Å; L67-F141 HydrophobicContact CB-CD2 4.19Å; L67-F141 HydrophobicContact CB-CG 3.83Å; L67-F141 HydrophobicContact CD1-CD2 3.64Å; L67-F141 HydrophobicContact CD1-CE2 3.97Å; L67-F141 HydrophobicContact CD1-CG 4.14Å; L67-F141 HydrophobicContact CD2-CB 4.35Å; L67-F141 HydrophobicContact CG-CD2 4.4Å; L67-F141 HydrophobicContact CG-CG 4.43Å
68	R	98.3	Very high	97.3	Very high	47 Å²	47	69.8 Å²	69.8	18%	0.177	33%	0.334	C	S	.	.	H	α-helix	trans	-54.1	-49.8	175.9	178.7	167.8	62.8	78	-1.2	112.4	E60 L64 K65 S66 R70 T71 M72 M80 Y110	E60-R68 WeakPolarHBondContact OE1-CD 3.4Å; E60-R68 IonicContact OE1-CZ 3.34Å; E60-R68 IonicContact OE1-NE 2.77Å; E60-R68 PolarHBondContact OE1-NE 3.46Å; E60-R68 IonicContact OE1-NH2 2.6Å; E60-R68 IonicContact OE2-CZ 3.34Å; E60-R68 IonicContact OE2-NE 3.18Å; E60-R68 PolarHBondContact OE2-NE 3.4Å; E60-R68 VanDerWaalsContact OE2-NE 3.16Å; E60-R68 IonicContact OE2-NH2 3.34Å; E60-R68 PolarHBondContact OE2-NH2 3.2Å; L64-R68 PolarHBondContact O-N 3.36Å; K65-R68 WeakPolarHBondContact O-CB 3.41Å; K65-R68 PolarHBondContact O-N 2.84Å; S66-R68 PolarHBondContact O-N 2.85Å; R68-R70 VanDerWaalsContact C-N 3.26Å; R68-R70 PolarHBondContact O-N 3.26Å; R68-T71 WeakPolarHBondContact O-CB 3.48Å; R68-T71 PolarHBondContact O-N 2.97Å; R68-T71 VanDerWaalsContact O-N 3.16Å; R68-M72 HydrophobicContact CG-CG 4.45Å; R68-M72 VanDerWaalsContact O-CG 3.29Å; R68-M72 WeakPolarHBondContact O-CG 3.33Å; R68-M72 PolarHBondContact O-N 3.19Å; R68-M80 HydrophobicContact CB-SD 4.42Å; R68-M80 HydrophobicContact CG-CE 3.76Å; R68-M80 HydrophobicContact CG-SD 4.05Å; R68-Y110 HydrophobicContact CB-CD2 3.89Å; R68-Y110 HydrophobicContact CB-CE2 3.58Å; R68-Y110 HydrophobicContact CG-CE2 4.33Å
69	L	98.2	Very high	97.2	Very high	89 Å²	89	70.3 Å²	70.3	47%	0.466	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-36.3	179.9	-68.3	175.7	0	0	0	111.8	K65 S66 L67 M72	K65-L69 HydrophobicContact CG-CD1 4.35Å; K65-L69 WeakPolarHBondContact O-CG 3.36Å; K65-L69 PolarHBondContact O-N 3.03Å; S66-L69 PolarHBondContact O-N 3.43Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 3.04Å; L69-M72 PolarHBondContact O-N 2.78Å
70	R	98.3	Very high	97.2	Very high	93 Å²	93	59.7 Å²	59.7	35%	0.351	30%	0.296	S	S	.	.	H	α-helix	trans	-67.2	-41.6	173.1	175.9	58.5	-173.6	84.9	0.2	112.1	S66 L67 R68 M72 Q73 I137 F141	S66-R70 PolarHBondContact O-N 3.42Å; L67-R70 CarbonylContact O-C 3.56Å; L67-R70 WeakPolarHBondContact O-CB 3.41Å; L67-R70 PolarHBondContact O-N 2.9Å; L67-R70 VanDerWaalsContact O-N 3.09Å; R68-R70 VanDerWaalsContact C-N 3.26Å; R68-R70 PolarHBondContact O-N 3.26Å; R70-M72 VanDerWaalsContact C-N 3.31Å; R70-M72 PolarHBondContact O-N 2.89Å; R70-Q73 WeakPolarHBondContact O-CB 3.29Å; R70-Q73 PolarHBondContact O-N 3.41Å; R70-I137 HydrophobicContact CG-CG2 3.81Å; R70-F141 HydrophobicContact CB-CE2 4.23Å; R70-F141 HydrophobicContact CB-CZ 3.85Å; R70-F141 HydrophobicContact CG-CE2 4.09Å; R70-F141 HydrophobicContact CG-CZ 4.07Å
71	T	98.1	Very high	97.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-37	175.5	-57.2	0	0	0	0	111.4	L67 R68 Q73 D74 N77 M80 Y107 T108	L67-T71 PolarHBondContact O-N 3.38Å; L67-T71 PolarHBondContact O-OG1 2.84Å; R68-T71 WeakPolarHBondContact O-CB 3.48Å; R68-T71 PolarHBondContact O-N 2.97Å; R68-T71 VanDerWaalsContact O-N 3.16Å; T71-Q73 PolarHBondContact O-N 3.43Å; T71-D74 VanDerWaalsContact O-CB 3.27Å; T71-D74 WeakPolarHBondContact O-CB 3.48Å; T71-D74 PolarHBondContact O-N 2.89Å; T71-N77 WeakPolarHBondContact O-CB 3.2Å; T71-M80 HydrophobicContact CG2-CB 4.08Å; T71-M80 HydrophobicContact CG2-CG 4.14Å; T71-M80 HydrophobicContact CG2-SD 3.76Å; T71-Y107 HydrophobicContact CG2-CD1 4.33Å; T71-Y107 HydrophobicContact CG2-CE1 3.54Å; T71-T108 HydrophobicContact CG2-CG2 3.86Å; T71-T108 WeakPolarHBondContact CG2-OG1 3.44Å; T71-T108 WeakPolarHBondContact OG1-CB 3.48Å; T71-T108 PolarHBondContact OG1-OG1 3.02Å
72	M	97.3	Very high	97.2	Very high	50 Å²	50	54.9 Å²	54.9	25%	0.246	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.5	177.5	-67.1	-54	92.9	0	0	114.1	H41 R68 L69 R70 N77 M80	H41-M72 HydrophobicContact CB-SD 3.9Å; R68-M72 HydrophobicContact CG-CG 4.45Å; R68-M72 VanDerWaalsContact O-CG 3.29Å; R68-M72 WeakPolarHBondContact O-CG 3.33Å; R68-M72 PolarHBondContact O-N 3.19Å; L69-M72 PolarHBondContact O-N 2.78Å; R70-M72 VanDerWaalsContact C-N 3.31Å; R70-M72 PolarHBondContact O-N 2.89Å; M72-N77 HydrophobicContact CE-CB 3.82Å; M72-N77 HydrophobicContact SD-CB 4.33Å; M72-M80 HydrophobicContact CE-CB 4.39Å; M72-M80 HydrophobicContact CE-CE 3.38Å; M72-M80 HydrophobicContact CE-SD 3.59Å; M72-M80 VanDerWaalsContact CE-SD 3.59Å
73	Q	97.1	Very high	97.1	Very high	148 Å²	148	50.7 Å²	50.7	69%	0.692	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-14.5	173.9	-60.2	171.2	4.3	0	0	112.6	R70 T71	R70-Q73 WeakPolarHBondContact O-CB 3.29Å; R70-Q73 PolarHBondContact O-N 3.41Å; T71-Q73 PolarHBondContact O-N 3.43Å
74	D	96.3	Very high	97	Very high	27 Å²	27	51.3 Å²	51.3	14%	0.144	25%	0.249	C	C	.	.	S	Bend	trans	-77	149.2	177.8	-170.9	-102.1	0	0	0	111.5	T71 W76 N77 Y107	T71-D74 VanDerWaalsContact O-CB 3.27Å; T71-D74 WeakPolarHBondContact O-CB 3.48Å; T71-D74 PolarHBondContact O-N 2.89Å; D74-W76 PolarHBondContact O-N 3.29Å; D74-W76 WeakPolarHBondContact OD1-CA 3.14Å; D74-W76 WeakPolarHBondContact OD1-CB 3.47Å; D74-W76 PolarHBondContact OD1-N 3.09Å; D74-N77 WeakPolarHBondContact O-CB 3.47Å; D74-N77 PolarHBondContact O-N 3.49Å; D74-N77 PolarHBondContact O-ND2 2.89Å; D74-Y107 WeakPolarHBondContact CB-OH 3.23Å; D74-Y107 VanDerWaalsContact CG-OH 3.27Å; D74-Y107 PolarHBondContact OD1-OH 3.4Å
75	S	95.7	Very high	97	Very high	95 Å²	95	51 Å²	51	66%	0.664	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-22.1	-179.4	53.9	0	0	0	0	113.3
76	W	95.5	Very high	97	Very high	123 Å²	123	45.9 Å²	45.9	47%	0.466	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	20.7	178.8	-66.8	79.6	0	0	0	113.4	D74 F78 M79 Y107	D74-W76 PolarHBondContact O-N 3.29Å; D74-W76 WeakPolarHBondContact OD1-CA 3.14Å; D74-W76 WeakPolarHBondContact OD1-CB 3.47Å; D74-W76 PolarHBondContact OD1-N 3.09Å; W76-F78 HydrophobicContact CB-CE1 4.43Å; W76-F78 HydrophobicContact CD2-CE1 4.39Å; W76-F78 HydrophobicContact CD2-CZ 4.13Å; W76-F78 HydrophobicContact CE3-CE1 4.06Å; W76-F78 HydrophobicContact CE3-CE2 4.13Å; W76-F78 AromaticContact CE3-CZ 3.37Å; W76-F78 HydrophobicContact CE3-CZ 3.37Å; W76-F78 HydrophobicContact CZ3-CE2 4.5Å; W76-F78 AromaticContact CZ3-CZ 3.81Å; W76-F78 HydrophobicContact CZ3-CZ 3.81Å; W76-F78 PolarHBondContact O-N 3.13Å; W76-M79 HydrophobicContact CB-CE 3.46Å; W76-M79 VanDerWaalsContact CB-CE 3.46Å; W76-M79 HydrophobicContact CB-CG 4.39Å; W76-M79 HydrophobicContact CB-SD 4.4Å; W76-M79 HydrophobicContact CD2-CE 4.32Å; W76-M79 HydrophobicContact CE3-CE 4.11Å; W76-M79 HydrophobicContact CE3-CG 4.28Å; W76-M79 HydrophobicContact CE3-SD 3.8Å; W76-M79 HydrophobicContact CG-CE 4.1Å; W76-M79 WeakPolarHBondContact O-CB 3.42Å; W76-M79 WeakPolarHBondContact O-CG 3.35Å; W76-M79 PolarHBondContact O-N 3.49Å; W76-Y107 HydrophobicContact CB-CE2 4.31Å; W76-Y107 PolarHBondContact O-OH 2.92Å
77	N	95.8	Very high	97	Very high	44 Å²	44	45.1 Å²	45.1	24%	0.235	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-54	-24.9	-174.6	63.9	69.5	0	0	0	115.1	H41 T71 M72 D74 M79 M80 Y107	H41-N77 PolarHBondContact NE2-O 3.4Å; T71-N77 WeakPolarHBondContact O-CB 3.2Å; M72-N77 HydrophobicContact CE-CB 3.82Å; M72-N77 HydrophobicContact SD-CB 4.33Å; D74-N77 WeakPolarHBondContact O-CB 3.47Å; D74-N77 PolarHBondContact O-N 3.49Å; D74-N77 PolarHBondContact O-ND2 2.89Å; N77-M79 PolarHBondContact O-N 2.78Å; N77-M80 WeakPolarHBondContact O-CB 3.45Å; N77-M80 PolarHBondContact O-N 3.04Å; N77-M80 VanDerWaalsContact O-N 3.15Å; N77-Y107 WeakPolarHBondContact CA-OH 3.2Å; N77-Y107 PolarHBondContact N-OH 2.74Å
78	F	94.1	Very high	97	Very high	95 Å²	95	48.3 Å²	48.3	42%	0.417	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-64	-16.8	176.7	62.6	-95.2	0	0	0	113.8	K39 V42 W76 M80	K39-F78 PolarHBondContact NZ-O 3.38Å; V42-F78 HydrophobicContact CG2-CB 3.91Å; W76-F78 HydrophobicContact CB-CE1 4.43Å; W76-F78 HydrophobicContact CD2-CE1 4.39Å; W76-F78 HydrophobicContact CD2-CZ 4.13Å; W76-F78 HydrophobicContact CE3-CE1 4.06Å; W76-F78 HydrophobicContact CE3-CE2 4.13Å; W76-F78 AromaticContact CE3-CZ 3.37Å; W76-F78 HydrophobicContact CE3-CZ 3.37Å; W76-F78 HydrophobicContact CZ3-CE2 4.5Å; W76-F78 AromaticContact CZ3-CZ 3.81Å; W76-F78 HydrophobicContact CZ3-CZ 3.81Å; W76-F78 PolarHBondContact O-N 3.13Å; F78-M80 VanDerWaalsContact C-N 3.34Å
79	M	94.9	Very high	97	Very high	60 Å²	60	46 Å²	46	30%	0.296	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-69.7	-32.5	174.7	-65.1	-163	-62.9	0	0	111.8	K39 W76 N77 Y107	K39-M79 PolarHBondContact NZ-O 3.48Å; W76-M79 HydrophobicContact CB-CE 3.46Å; W76-M79 VanDerWaalsContact CB-CE 3.46Å; W76-M79 HydrophobicContact CB-CG 4.39Å; W76-M79 HydrophobicContact CB-SD 4.4Å; W76-M79 HydrophobicContact CD2-CE 4.32Å; W76-M79 HydrophobicContact CE3-CE 4.11Å; W76-M79 HydrophobicContact CE3-CG 4.28Å; W76-M79 HydrophobicContact CE3-SD 3.8Å; W76-M79 HydrophobicContact CG-CE 4.1Å; W76-M79 WeakPolarHBondContact O-CB 3.42Å; W76-M79 WeakPolarHBondContact O-CG 3.35Å; W76-M79 PolarHBondContact O-N 3.49Å; N77-M79 PolarHBondContact O-N 2.78Å; M79-Y107 HydrophobicContact CB-CD1 4.08Å; M79-Y107 HydrophobicContact CB-CE1 4.17Å; M79-Y107 HydrophobicContact CB-CG 4.4Å; M79-Y107 HydrophobicContact CE-CD2 3.41Å; M79-Y107 VanDerWaalsContact CE-CD2 3.41Å; M79-Y107 HydrophobicContact CE-CE2 3.37Å; M79-Y107 HydrophobicContact CE-CG 4.05Å
80	M	97.3	Very high	97	Very high	5 Å²	5	42 Å²	42	3%	0.025	20%	0.201	C	C	.	.	S	Bend	trans	-54.3	145.2	-177.2	-167.3	-169.4	72.8	0	0	112	K39 H41 R68 T71 M72 N77 F78 Y107 Y110	K39-M80 PolarHBondContact NZ-O 2.89Å; K39-M80 VanDerWaalsContact NZ-O 3.1Å; H41-M80 PolarHBondContact CE1-O 2.86Å; H41-M80 PolarHBondContact NE2-O 3.11Å; R68-M80 HydrophobicContact CB-SD 4.42Å; R68-M80 HydrophobicContact CG-CE 3.76Å; R68-M80 HydrophobicContact CG-SD 4.05Å; T71-M80 HydrophobicContact CG2-CB 4.08Å; T71-M80 HydrophobicContact CG2-CG 4.14Å; T71-M80 HydrophobicContact CG2-SD 3.76Å; M72-M80 HydrophobicContact CE-CB 4.39Å; M72-M80 HydrophobicContact CE-CE 3.38Å; M72-M80 HydrophobicContact CE-SD 3.59Å; M72-M80 VanDerWaalsContact CE-SD 3.59Å; N77-M80 WeakPolarHBondContact O-CB 3.45Å; N77-M80 PolarHBondContact O-N 3.04Å; N77-M80 VanDerWaalsContact O-N 3.15Å; F78-M80 VanDerWaalsContact C-N 3.34Å; M80-Y107 HydrophobicContact CB-CD1 4.32Å; M80-Y107 HydrophobicContact CB-CE1 4.24Å; M80-Y110 HydrophobicContact CG-CD1 4.37Å; M80-Y110 HydrophobicContact CG-CG 4.17Å; M80-Y110 HydrophobicContact SD-CD1 4.45Å; M80-Y110 HydrophobicContact SD-CD2 4.18Å; M80-Y110 HydrophobicContact SD-CG 3.98Å
81	V	96.2	Very high	97	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.042	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-66.5	143.3	170.1	70.2	0	0	0	0	110.3	Q85 A86 M89 Y110 N111 F178	V81-Q85 HydrophobicContact CG2-CB 3.92Å; V81-Q85 HydrophobicContact CG2-CG 3.71Å; V81-A86 HydrophobicContact CG1-CB 4.05Å; V81-M89 HydrophobicContact CG2-CE 4.12Å; V81-Y110 HydrophobicContact CG1-CD1 3.63Å; V81-Y110 HydrophobicContact CG1-CE1 4.16Å; V81-N111 HydrophobicContact CG1-CB 3.84Å; V81-F178 HydrophobicContact CG2-CZ 4.43Å
82	P	96.8	Very high	97.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-63.6	147.5	172.8	-21.6	33.7	0	0	0	113	K39 E84 Q85 A86	K39-P82 HydrophobicContact CB-CG 3.63Å; K39-P82 HydrophobicContact CD-CG 4.09Å; K39-P82 HydrophobicContact CG-CG 3.55Å; P82-E84 VanDerWaalsContact C-N 3.34Å; P82-E84 HydrophobicContact CB-CG 4.48Å; P82-E84 WeakPolarHBondContact CB-OE1 3.05Å; P82-E84 VanDerWaalsContact CB-OE2 3.28Å; P82-E84 WeakPolarHBondContact CB-OE2 3.11Å; P82-E84 PolarHBondContact O-N 3.44Å; P82-Q85 HydrophobicContact CB-CB 4.18Å; P82-Q85 HydrophobicContact CG-CB 4.41Å; P82-Q85 WeakPolarHBondContact O-CB 3.35Å; P82-Q85 PolarHBondContact O-N 2.96Å; P82-Q85 VanDerWaalsContact O-N 3.12Å; P82-A86 PolarHBondContact O-N 3.39Å
83	C	97.1	Very high	97.1	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-36.2	-176.1	54.6	0	0	0	0	113.1	L58 Q85 A86 Q87 Y110	L58-C83 HydrophobicContact CD1-CB 3.94Å; L58-C83 HydrophobicContact CD2-CB 4.18Å; L58-C83 VanDerWaalsContact CD2-SG 3.6Å; C83-Q85 VanDerWaalsContact C-N 3.32Å; C83-Q85 PolarHBondContact O-N 2.98Å; C83-A86 PolarHBondContact O-N 3.35Å; C83-Q87 WeakPolarHBondContact O-CB 3.37Å; C83-Q87 PolarHBondContact O-N 2.91Å; C83-Y110 WeakPolarHBondContact CA-OH 3.44Å; C83-Y110 HydrophobicContact CB-CE1 4.5Å; C83-Y110 WeakPolarHBondContact CB-OH 3.36Å
84	E	96.3	Very high	97.2	Very high	25 Å²	25	38.9 Å²	38.9	12%	0.117	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-34.3	174.6	70.7	-74.9	-177.1	0	0	112.5	S40 M50 L54 P82 F88	S40-E84 VanDerWaalsContact CB-OE1 3.25Å; S40-E84 WeakPolarHBondContact CB-OE1 3.35Å; S40-E84 WeakPolarHBondContact CB-OE2 3.27Å; S40-E84 VanDerWaalsContact OG-CD 3.3Å; S40-E84 PolarHBondContact OG-OE1 2.86Å; S40-E84 PolarHBondContact OG-OE2 3.32Å; M50-E84 HydrophobicContact SD-CG 4.41Å; L54-E84 HydrophobicContact CD2-CB 4.06Å; P82-E84 VanDerWaalsContact C-N 3.34Å; P82-E84 HydrophobicContact CB-CG 4.48Å; P82-E84 WeakPolarHBondContact CB-OE1 3.05Å; P82-E84 VanDerWaalsContact CB-OE2 3.28Å; P82-E84 WeakPolarHBondContact CB-OE2 3.11Å; P82-E84 PolarHBondContact O-N 3.44Å; E84-F88 WeakPolarHBondContact O-CB 3.5Å; E84-F88 PolarHBondContact O-N 3.38Å
85	Q	98.1	Very high	97.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-73.4	-43.8	176.4	-179.6	174.8	-28.3	0	0	111.2	V81 P82 C83 Q87 F88 M89 D206 V247 L251	V81-Q85 HydrophobicContact CG2-CB 3.92Å; V81-Q85 HydrophobicContact CG2-CG 3.71Å; P82-Q85 HydrophobicContact CB-CB 4.18Å; P82-Q85 HydrophobicContact CG-CB 4.41Å; P82-Q85 WeakPolarHBondContact O-CB 3.35Å; P82-Q85 PolarHBondContact O-N 2.96Å; P82-Q85 VanDerWaalsContact O-N 3.12Å; C83-Q85 VanDerWaalsContact C-N 3.32Å; C83-Q85 PolarHBondContact O-N 2.98Å; Q85-Q87 VanDerWaalsContact C-N 3.35Å; Q85-Q87 PolarHBondContact O-N 2.69Å; Q85-F88 WeakPolarHBondContact O-CB 3.44Å; Q85-F88 PolarHBondContact O-N 3.42Å; Q85-M89 HydrophobicContact CG-CE 4.3Å; Q85-M89 WeakPolarHBondContact O-CG 3.21Å; Q85-M89 PolarHBondContact O-N 3.18Å; Q85-D206 VanDerWaalsContact NE2-CG 3.25Å; Q85-D206 PolarHBondContact NE2-OD1 3.24Å; Q85-V247 HydrophobicContact CB-CG1 3.77Å; Q85-V247 HydrophobicContact CG-CG1 3.95Å; Q85-L251 HydrophobicContact CG-CD2 4.24Å
86	A	98.4	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-45.3	173.9	0	0	0	0	0	111.4	V81 P82 C83 F88 M89 A90 Y110 N114	V81-A86 HydrophobicContact CG1-CB 4.05Å; P82-A86 PolarHBondContact O-N 3.39Å; C83-A86 PolarHBondContact O-N 3.35Å; A86-F88 VanDerWaalsContact C-N 3.32Å; A86-F88 PolarHBondContact O-N 2.97Å; A86-M89 PolarHBondContact O-N 3.04Å; A86-A90 WeakPolarHBondContact O-CB 3.42Å; A86-A90 PolarHBondContact O-N 3.42Å; A86-Y110 HydrophobicContact CB-CD1 4.23Å; A86-Y110 HydrophobicContact CB-CE1 3.59Å; A86-N114 HydrophobicContact CB-CB 4.28Å; A86-N114 PolarHBondContact O-ND2 2.89Å
87	Q	98.4	Very high	97.6	Very high	33 Å²	33	43.1 Å²	43.1	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-41.6	174.8	178.4	174.5	-77.9	0	0	112.2	S57 L58 C83 Q85 A90 N91	S57-Q87 PolarHBondContact O-NE2 2.91Å; L58-Q87 HydrophobicContact CD1-CB 4.45Å; C83-Q87 WeakPolarHBondContact O-CB 3.37Å; C83-Q87 PolarHBondContact O-N 2.91Å; Q85-Q87 VanDerWaalsContact C-N 3.35Å; Q85-Q87 PolarHBondContact O-N 2.69Å; Q87-A90 PolarHBondContact O-N 2.96Å; Q87-N91 PolarHBondContact O-N 3.02Å; Q87-N91 PolarHBondContact O-ND2 2.88Å
88	F	98.6	Very high	97.7	Very high	67 Å²	67	41.2 Å²	41.2	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-60.6	-47.8	176.4	174.4	-116.4	0	0	0	111.5	E84 Q85 A86 A90 N91 L92 L245 L251 L253	E84-F88 WeakPolarHBondContact O-CB 3.5Å; E84-F88 PolarHBondContact O-N 3.38Å; Q85-F88 WeakPolarHBondContact O-CB 3.44Å; Q85-F88 PolarHBondContact O-N 3.42Å; A86-F88 VanDerWaalsContact C-N 3.32Å; A86-F88 PolarHBondContact O-N 2.97Å; F88-A90 PolarHBondContact O-N 2.93Å; F88-N91 PolarHBondContact O-N 3.42Å; F88-L92 HydrophobicContact CD1-CD1 4.17Å; F88-L92 HydrophobicContact CE1-CD1 3.64Å; F88-L92 HydrophobicContact CE1-CG 4.39Å; F88-L92 HydrophobicContact CE2-CD1 4.29Å; F88-L92 HydrophobicContact CE2-CD2 4.2Å; F88-L92 HydrophobicContact CE2-CG 4.2Å; F88-L92 HydrophobicContact CZ-CD1 3.71Å; F88-L92 HydrophobicContact CZ-CD2 4.19Å; F88-L92 HydrophobicContact CZ-CG 4.12Å; F88-L92 WeakPolarHBondContact O-CG 3.43Å; F88-L92 PolarHBondContact O-N 3.44Å; F88-L245 HydrophobicContact CE1-CD1 3.62Å; F88-L245 HydrophobicContact CZ-CD1 3.77Å; F88-L251 HydrophobicContact CD1-CD2 3.86Å; F88-L251 HydrophobicContact CE1-CD2 3.92Å; F88-L253 HydrophobicContact CE1-CD1 4.01Å; F88-L253 HydrophobicContact CZ-CD1 4Å
89	M	98.7	Very high	97.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-38	177.7	-66.6	-170.1	-64.2	0	0	112.8	V81 Q85 A86 N91 L92 A93 N111 F176 F178 A204 L251	V81-M89 HydrophobicContact CG2-CE 4.12Å; Q85-M89 HydrophobicContact CG-CE 4.3Å; Q85-M89 WeakPolarHBondContact O-CG 3.21Å; Q85-M89 PolarHBondContact O-N 3.18Å; A86-M89 PolarHBondContact O-N 3.04Å; M89-N91 VanDerWaalsContact C-N 3.32Å; M89-N91 PolarHBondContact O-N 3.4Å; M89-L92 PolarHBondContact O-N 2.92Å; M89-A93 PolarHBondContact O-N 3.26Å; M89-N111 WeakPolarHBondContact CE-OD1 3.44Å; M89-F176 HydrophobicContact CB-CZ 4.08Å; M89-F176 HydrophobicContact CG-CZ 4.23Å; M89-F176 HydrophobicContact SD-CE1 4.49Å; M89-F176 HydrophobicContact SD-CZ 4.46Å; M89-F178 HydrophobicContact CE-CD2 3.98Å; M89-F178 HydrophobicContact CE-CE1 4.4Å; M89-F178 HydrophobicContact CE-CE2 3.75Å; M89-F178 HydrophobicContact CE-CG 4.4Å; M89-F178 HydrophobicContact CE-CZ 3.98Å; M89-F178 HydrophobicContact SD-CD2 3.48Å; M89-F178 WeakPolarHBondContact SD-CD2 3.44Å; M89-F178 HydrophobicContact SD-CE2 3.59Å; M89-F178 VanDerWaalsContact SD-CE2 3.59Å; M89-F178 HydrophobicContact SD-CG 4.24Å; M89-F178 HydrophobicContact SD-CZ 4.41Å; M89-A204 HydrophobicContact SD-CB 4.04Å; M89-L251 HydrophobicContact CG-CD2 4.26Å; M89-L251 HydrophobicContact SD-CD1 4.33Å; M89-L251 HydrophobicContact SD-CD2 4.5Å
90	A	98.6	Very high	98.1	Very high	4 Å²	4	41 Å²	41	3%	0.033	20%	0.197	C	C	.	.	H	α-helix	trans	-58.3	-42.8	172.4	0	0	0	0	0	112.2	A86 Q87 F88 A93 K94 S118	A86-A90 WeakPolarHBondContact O-CB 3.42Å; A86-A90 PolarHBondContact O-N 3.42Å; Q87-A90 PolarHBondContact O-N 2.96Å; F88-A90 PolarHBondContact O-N 2.93Å; A90-A93 PolarHBondContact O-N 2.98Å; A90-K94 WeakPolarHBondContact O-CG 3.41Å; A90-K94 PolarHBondContact O-N 2.63Å; A90-S118 WeakPolarHBondContact CB-OG 3.44Å
91	N	98.5	Very high	98.2	Very high	86 Å²	86	40.8 Å²	40.8	46%	0.46	20%	0.196	S	C	.	.	H	α-helix	trans	-67.2	-37.6	176.6	-71.9	-24.1	0	0	0	112.1	Q87 F88 M89 K94 L95	Q87-N91 PolarHBondContact O-N 3.02Å; Q87-N91 PolarHBondContact O-ND2 2.88Å; F88-N91 PolarHBondContact O-N 3.42Å; M89-N91 VanDerWaalsContact C-N 3.32Å; M89-N91 PolarHBondContact O-N 3.4Å; N91-K94 PolarHBondContact O-N 2.89Å; N91-L95 VanDerWaalsContact O-CB 3.31Å; N91-L95 WeakPolarHBondContact O-CB 3.41Å; N91-L95 PolarHBondContact O-N 2.97Å
92	L	98.7	Very high	98.4	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.131	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-45.8	174.1	-67.5	177.9	0	0	0	111.7	F88 M89 K94 L95 I96 F176 I202 L253	F88-L92 HydrophobicContact CD1-CD1 4.17Å; F88-L92 HydrophobicContact CE1-CD1 3.64Å; F88-L92 HydrophobicContact CE1-CG 4.39Å; F88-L92 HydrophobicContact CE2-CD1 4.29Å; F88-L92 HydrophobicContact CE2-CD2 4.2Å; F88-L92 HydrophobicContact CE2-CG 4.2Å; F88-L92 HydrophobicContact CZ-CD1 3.71Å; F88-L92 HydrophobicContact CZ-CD2 4.19Å; F88-L92 HydrophobicContact CZ-CG 4.12Å; F88-L92 WeakPolarHBondContact O-CG 3.43Å; F88-L92 PolarHBondContact O-N 3.44Å; M89-L92 PolarHBondContact O-N 2.92Å; L92-K94 VanDerWaalsContact C-N 3.31Å; L92-K94 PolarHBondContact O-N 3.37Å; L92-L95 WeakPolarHBondContact O-CB 3.26Å; L92-L95 PolarHBondContact O-N 3.49Å; L92-L95 VanDerWaalsContact O-N 3.16Å; L92-I96 WeakPolarHBondContact O-CG1 3.48Å; L92-I96 PolarHBondContact O-N 3.46Å; L92-F176 HydrophobicContact CB-CE2 4.04Å; L92-I202 HydrophobicContact CB-CD1 4.23Å; L92-L253 HydrophobicContact CD1-CD1 3.7Å; L92-L253 HydrophobicContact CD1-CD2 3.86Å; L92-L253 HydrophobicContact CD1-CG 4.46Å
93	A	98.8	Very high	98.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-57.9	-44	176.3	0	0	0	0	0	111.5	M89 A90 I96 Q97 A98 M115 F176	M89-A93 PolarHBondContact O-N 3.26Å; A90-A93 PolarHBondContact O-N 2.98Å; A93-I96 WeakPolarHBondContact O-CG1 3.06Å; A93-I96 PolarHBondContact O-N 2.88Å; A93-Q97 PolarHBondContact O-N 2.84Å; A93-A98 HydrophobicContact CB-CB 4.04Å; A93-A98 WeakPolarHBondContact O-CB 3.22Å; A93-A98 PolarHBondContact O-N 3.35Å; A93-M115 HydrophobicContact CB-CE 3.85Å; A93-M115 HydrophobicContact CB-SD 3.51Å; A93-M115 VanDerWaalsContact CB-SD 3.51Å; A93-F176 HydrophobicContact CB-CD2 4.34Å
94	K	98.6	Very high	98.5	Very high	113 Å²	113	40.5 Å²	40.5	49%	0.491	19%	0.194	S	C	.	.	H	α-helix	trans	-63.6	-43	174.3	-71.2	172.8	-174	177.1	0	112.5	A90 N91 L92 I96 Q97	A90-K94 WeakPolarHBondContact O-CG 3.41Å; A90-K94 PolarHBondContact O-N 2.63Å; N91-K94 PolarHBondContact O-N 2.89Å; L92-K94 VanDerWaalsContact C-N 3.31Å; L92-K94 PolarHBondContact O-N 3.37Å; K94-I96 VanDerWaalsContact C-N 3.3Å; K94-I96 PolarHBondContact O-N 3.46Å; K94-Q97 PolarHBondContact O-N 3.11Å
95	L	98.6	Very high	98.6	Very high	134 Å²	134	40 Å²	40	70%	0.702	20%	0.195	S	C	*	.	H	α-helix	trans	-59.8	-41	-179.8	-178.4	62.9	0	0	0	112	N91 L92 Q97	N91-L95 VanDerWaalsContact O-CB 3.31Å; N91-L95 WeakPolarHBondContact O-CB 3.41Å; N91-L95 PolarHBondContact O-N 2.97Å; L92-L95 WeakPolarHBondContact O-CB 3.26Å; L92-L95 PolarHBondContact O-N 3.49Å; L92-L95 VanDerWaalsContact O-N 3.16Å; L95-Q97 VanDerWaalsContact C-N 3.25Å; L95-Q97 PolarHBondContact O-N 3.49Å
96	I	98.4	Very high	98.7	Very high	36 Å²	36	40.3 Å²	40.3	19%	0.185	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	4.9	177.3	72.2	172.1	0	0	0	113.3	L92 A93 K94 A98 D175 F176 R198 I202	L92-I96 WeakPolarHBondContact O-CG1 3.48Å; L92-I96 PolarHBondContact O-N 3.46Å; A93-I96 WeakPolarHBondContact O-CG1 3.06Å; A93-I96 PolarHBondContact O-N 2.88Å; K94-I96 VanDerWaalsContact C-N 3.3Å; K94-I96 PolarHBondContact O-N 3.46Å; I96-A98 VanDerWaalsContact C-N 3.27Å; I96-A98 HydrophobicContact CD1-CB 4.27Å; I96-A98 HydrophobicContact CG1-CB 4.02Å; I96-A98 PolarHBondContact O-N 2.81Å; I96-D175 HydrophobicContact CD1-CB 4.4Å; I96-D175 VanDerWaalsContact CD1-O 3.27Å; I96-D175 WeakPolarHBondContact CD1-O 3.44Å; I96-F176 HydrophobicContact CD1-CD2 4.16Å; I96-R198 PolarHBondContact O-NH2 3.32Å; I96-R198 VanDerWaalsContact O-NH2 3.15Å; I96-I202 HydrophobicContact CD1-CD1 4.09Å; I96-I202 HydrophobicContact CD1-CG1 4.07Å; I96-I202 HydrophobicContact CG2-CD1 3.83Å; I96-I202 HydrophobicContact CG2-CG1 4.43Å
97	Q	98.5	Very high	98.7	Very high	165 Å²	165	41.2 Å²	41.2	77%	0.771	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	43.9	-176.3	-59.2	173.9	60.8	0	0	112.5	A93 K94 L95 K99	A93-Q97 PolarHBondContact O-N 2.84Å; K94-Q97 PolarHBondContact O-N 3.11Å; L95-Q97 VanDerWaalsContact C-N 3.25Å; L95-Q97 PolarHBondContact O-N 3.49Å; Q97-K99 PolarHBondContact O-N 2.8Å
98	A	98.8	Very high	98.7	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.033	19%	0.194	C	C	.	.			trans	-58.5	138.5	178.9	0	0	0	0	0	111.1	A93 I96 L119 P120 D175	A93-A98 HydrophobicContact CB-CB 4.04Å; A93-A98 WeakPolarHBondContact O-CB 3.22Å; A93-A98 PolarHBondContact O-N 3.35Å; I96-A98 VanDerWaalsContact C-N 3.27Å; I96-A98 HydrophobicContact CD1-CB 4.27Å; I96-A98 HydrophobicContact CG1-CB 4.02Å; I96-A98 PolarHBondContact O-N 2.81Å; A98-L119 HydrophobicContact CB-CD2 3.7Å; A98-L119 WeakPolarHBondContact O-CD2 3.49Å; A98-P120 VanDerWaalsContact O-CD 3.26Å; A98-P120 WeakPolarHBondContact O-CD 3.46Å; A98-D175 HydrophobicContact CB-CB 3.61Å
99	K	98.8	Very high	98.7	Very high	104 Å²	104	36.5 Å²	36.5	45%	0.452	18%	0.18	S	C	.	.			trans	-114.9	-30.5	169.6	-66.2	-161.4	168.5	-160.8	0	111.8	Q97 P120 D122 G123 A124 D175	Q97-K99 PolarHBondContact O-N 2.8Å; K99-P120 HydrophobicContact CD-CG 4.47Å; K99-P120 HydrophobicContact CG-CG 3.9Å; K99-D122 IonicContact NZ-OD1 3.83Å; K99-D122 IonicContact NZ-OD2 3.39Å; K99-D122 PolarHBondContact NZ-OD2 2.74Å; K99-G123 CarbonylContact O-C 3.57Å; K99-G123 WeakPolarHBondContact O-CA 3.26Å; K99-A124 PolarHBondContact O-N 2.79Å; K99-D175 PolarHBondContact N-OD2 3.46Å
100	K	98.9	Very high	98.7	Very high	45 Å²	45	36.7 Å²	36.7	20%	0.196	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.3	-176.2	-162.8	176.5	-175.4	174.8	0	111.5	A124 F174 D175 F176	K100-A124 CarbonylContact C-O 3.25Å; K100-A124 WeakPolarHBondContact CA-O 3.44Å; K100-F174 HydrophobicContact CB-CD1 4.49Å; K100-F174 HydrophobicContact CD-CD1 4.09Å; K100-F174 HydrophobicContact CD-CE1 4.06Å; K100-F174 HydrophobicContact CD-CG 4.38Å; K100-F174 HydrophobicContact CD-CZ 4.33Å; K100-F174 HydrophobicContact CG-CD1 3.73Å; K100-F174 HydrophobicContact CG-CE1 3.84Å; K100-F174 HydrophobicContact CG-CG 4.38Å; K100-D175 PolarHBondContact N-OD2 2.8Å; K100-D175 PolarHBondContact O-N 2.79Å; K100-F176 PolarHBondContact O-N 2.87Å
101	A	98.9	Very high	98.7	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.017	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	153.2	177.5	0	0	0	0	0	111.9	M115 L119 A124 V125 V126 F176	A101-M115 HydrophobicContact CB-CG 3.51Å; A101-M115 HydrophobicContact CB-SD 4.21Å; A101-L119 HydrophobicContact CB-CD1 4.11Å; A101-A124 PolarHBondContact N-O 3.44Å; A101-V125 HydrophobicContact CB-CG2 4.38Å; A101-V125 CarbonylContact O-C 3.57Å; A101-V125 WeakPolarHBondContact O-CA 3.44Å; A101-V126 PolarHBondContact O-N 2.92Å; A101-F176 CarbonylContact C-O 3.57Å; A101-F176 WeakPolarHBondContact CA-O 3.26Å; A101-F176 HydrophobicContact CB-CB 4.36Å
102	L	98.9	Very high	98.7	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.3	172.2	171.6	65	0	0	0	108.8	I104 V126 L162 L165 F174 F176 V177 F178 L196	L102-I104 HydrophobicContact CD1-CG1 4.47Å; L102-I104 HydrophobicContact CD2-CD1 4.22Å; L102-I104 HydrophobicContact CD2-CG1 4.48Å; L102-I104 HydrophobicContact CG-CD1 4.46Å; L102-I104 HydrophobicContact CG-CG1 4.24Å; L102-V126 CarbonylContact C-O 3.58Å; L102-V126 WeakPolarHBondContact CA-O 3.26Å; L102-V126 HydrophobicContact CD1-CB 4Å; L102-V126 HydrophobicContact CD1-CG1 3.97Å; L102-L162 HydrophobicContact CD1-CD2 4.17Å; L102-L162 HydrophobicContact CD2-CD2 3.47Å; L102-L162 VanDerWaalsContact CD2-CD2 3.47Å; L102-L162 HydrophobicContact CG-CD2 4.36Å; L102-L165 HydrophobicContact CD1-CD1 4.31Å; L102-F174 HydrophobicContact CB-CD1 3.61Å; L102-F174 HydrophobicContact CB-CE1 3.66Å; L102-F174 HydrophobicContact CB-CG 4.37Å; L102-F174 HydrophobicContact CB-CZ 4.46Å; L102-F176 PolarHBondContact N-O 3.13Å; L102-V177 HydrophobicContact CB-CB 4.44Å; L102-V177 HydrophobicContact CB-CG1 4.12Å; L102-V177 HydrophobicContact CB-CG2 4.08Å; L102-V177 HydrophobicContact CD2-CG1 3.82Å; L102-V177 HydrophobicContact CD2-CG2 4.15Å; L102-V177 HydrophobicContact CG-CG1 4.02Å; L102-V177 CarbonylContact O-C 3.48Å; L102-V177 VanDerWaalsContact O-CA 3.29Å; L102-V177 WeakPolarHBondContact O-CA 3.48Å; L102-F178 PolarHBondContact O-N 2.92Å; L102-L196 HydrophobicContact CD2-CD1 4.04Å
103	E	98.9	Very high	98.7	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.019	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.8	175.1	178.8	158.9	140.1	0	0	109.3	G105 V106 N111 T112 V126 C128 F178	E103-G105 WeakPolarHBondContact CG-O 3.31Å; E103-V106 HydrophobicContact CG-CG2 4.39Å; E103-N111 VanDerWaalsContact OE2-C 3.25Å; E103-N111 WeakPolarHBondContact OE2-CB 3.3Å; E103-N111 PolarHBondContact OE2-ND2 2.67Å; E103-T112 PolarHBondContact OE1-N 3.39Å; E103-T112 VanDerWaalsContact OE1-N 3.09Å; E103-T112 PolarHBondContact OE1-OG1 3.02Å; E103-T112 VanDerWaalsContact OE2-CA 3.3Å; E103-T112 WeakPolarHBondContact OE2-CA 3.43Å; E103-T112 PolarHBondContact OE2-N 3.42Å; E103-T112 PolarHBondContact OE2-OG1 2.86Å; E103-V126 PolarHBondContact N-O 2.88Å; E103-C128 WeakPolarHBondContact O-CB 3.05Å; E103-C128 PolarHBondContact O-N 3.26Å; E103-F178 HydrophobicContact CG-CD1 4.18Å
104	I	98.9	Very high	98.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	104	177.4	-63.9	159.4	0	0	0	107.4	L102 A158 L162 V177 F178 I179 D180 A181 Y189	L102-I104 HydrophobicContact CD1-CG1 4.47Å; L102-I104 HydrophobicContact CD2-CD1 4.22Å; L102-I104 HydrophobicContact CD2-CG1 4.48Å; L102-I104 HydrophobicContact CG-CD1 4.46Å; L102-I104 HydrophobicContact CG-CG1 4.24Å; I104-A158 HydrophobicContact CG2-CB 3.69Å; I104-L162 HydrophobicContact CD1-CD1 3.85Å; I104-L162 HydrophobicContact CD1-CD2 4.05Å; I104-L162 HydrophobicContact CD1-CG 4.48Å; I104-L162 HydrophobicContact CG1-CD2 4.37Å; I104-V177 HydrophobicContact CD1-CG1 4.23Å; I104-F178 PolarHBondContact N-O 3.13Å; I104-I179 HydrophobicContact CD1-CG1 4.1Å; I104-D180 CarbonylContact O-C 3.36Å; I104-D180 VanDerWaalsContact O-C 3.25Å; I104-D180 WeakPolarHBondContact O-CA 3.41Å; I104-D180 PolarHBondContact O-N 3.48Å; I104-A181 HydrophobicContact CG2-CB 3.81Å; I104-A181 PolarHBondContact O-N 3.46Å; I104-Y189 HydrophobicContact CD1-CD1 4.41Å; I104-Y189 HydrophobicContact CD1-CG 4.41Å; I104-Y189 HydrophobicContact CG2-CD1 4.06Å; I104-Y189 HydrophobicContact CG2-CD2 4.05Å; I104-Y189 HydrophobicContact CG2-CE1 4.1Å; I104-Y189 HydrophobicContact CG2-CE2 4.12Å; I104-Y189 HydrophobicContact CG2-CG 4.06Å
105	G	98.5	Very high	98.7	Very high	14 Å²	14	26.8 Å²	26.8	14%	0.144	13%	0.132	C	C	.	.			trans	95.1	105.3	-168	0	0	0	0	0	111.2	E103 C128	E103-G105 WeakPolarHBondContact CG-O 3.31Å; G105-C128 WeakPolarHBondContact CA-O 3.38Å; G105-C128 PolarHBondContact N-O 3.19Å
106	V	98.6	Very high	98.7	Very high	7 Å²	7	20.4 Å²	20.4	4%	0.042	10%	0.099	C	C	.	.			trans	-104.7	-39.1	-173.9	177	0	0	0	0	111.3	E103 T108 G109 T112 A127 D129 T135 W142 L153	E103-V106 HydrophobicContact CG-CG2 4.39Å; V106-T108 PolarHBondContact O-N 3.24Å; V106-G109 WeakPolarHBondContact O-CA 3.44Å; V106-G109 PolarHBondContact O-N 3.5Å; V106-T112 WeakPolarHBondContact CG1-OG1 3.47Å; V106-A127 HydrophobicContact CG2-CB 3.68Å; V106-D129 WeakPolarHBondContact CA-OD2 3.46Å; V106-D129 HydrophobicContact CB-CB 3.88Å; V106-D129 WeakPolarHBondContact CB-OD2 3.32Å; V106-D129 HydrophobicContact CG2-CB 4.01Å; V106-D129 PolarHBondContact N-OD2 2.83Å; V106-T135 HydrophobicContact CB-CG2 4.09Å; V106-T135 HydrophobicContact CG1-CG2 3.86Å; V106-W142 HydrophobicContact CG1-CH2 4.4Å; V106-W142 HydrophobicContact CG1-CZ2 4.17Å; V106-L153 HydrophobicContact CG2-CD1 4.28Å
107	Y	98.5	Very high	98.7	Very high	20 Å²	20	21 Å²	21	8%	0.078	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-120.3	-169	178.7	-135	0	0	0	110.3	T71 D74 W76 N77 M79 M80 G109 D129 Y134 T135	T71-Y107 HydrophobicContact CG2-CD1 4.33Å; T71-Y107 HydrophobicContact CG2-CE1 3.54Å; D74-Y107 WeakPolarHBondContact CB-OH 3.23Å; D74-Y107 VanDerWaalsContact CG-OH 3.27Å; D74-Y107 PolarHBondContact OD1-OH 3.4Å; W76-Y107 HydrophobicContact CB-CE2 4.31Å; W76-Y107 PolarHBondContact O-OH 2.92Å; N77-Y107 WeakPolarHBondContact CA-OH 3.2Å; N77-Y107 PolarHBondContact N-OH 2.74Å; M79-Y107 HydrophobicContact CB-CD1 4.08Å; M79-Y107 HydrophobicContact CB-CE1 4.17Å; M79-Y107 HydrophobicContact CB-CG 4.4Å; M79-Y107 HydrophobicContact CE-CD2 3.41Å; M79-Y107 VanDerWaalsContact CE-CD2 3.41Å; M79-Y107 HydrophobicContact CE-CE2 3.37Å; M79-Y107 HydrophobicContact CE-CG 4.05Å; M80-Y107 HydrophobicContact CB-CD1 4.32Å; M80-Y107 HydrophobicContact CB-CE1 4.24Å; Y107-G109 VanDerWaalsContact C-N 3.26Å; Y107-G109 PolarHBondContact O-N 3.16Å; Y107-D129 PolarHBondContact N-OD2 3.24Å; Y107-Y134 AromaticContact CD2-CD1 3.91Å; Y107-Y134 HydrophobicContact CD2-CD1 3.91Å; Y107-Y134 HydrophobicContact CD2-CD2 4.05Å; Y107-Y134 HydrophobicContact CD2-CE1 4.46Å; Y107-Y134 AromaticContact CD2-CG 3.7Å; Y107-Y134 HydrophobicContact CD2-CG 3.7Å; Y107-Y134 AromaticContact CE2-CD1 3.53Å; Y107-Y134 HydrophobicContact CE2-CD1 3.53Å; Y107-Y134 HydrophobicContact CE2-CD2 4.33Å; Y107-Y134 AromaticContact CE2-CE1 3.8Å; Y107-Y134 HydrophobicContact CE2-CE1 3.8Å; Y107-Y134 AromaticContact CE2-CG 3.84Å; Y107-Y134 HydrophobicContact CE2-CG 3.84Å; Y107-Y134 CarbonylContact O-C 3.5Å; Y107-T135 WeakPolarHBondContact O-CA 3.37Å; Y107-T135 WeakPolarHBondContact O-CG2 3.41Å; Y107-T135 PolarHBondContact O-N 3.33Å
108	T	98.5	Very high	98.7	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2.3	177.2	67.8	0	0	0	0	113.7	T71 V106 I137 G138	T71-T108 HydrophobicContact CG2-CG2 3.86Å; T71-T108 WeakPolarHBondContact CG2-OG1 3.44Å; T71-T108 WeakPolarHBondContact OG1-CB 3.48Å; T71-T108 PolarHBondContact OG1-OG1 3.02Å; V106-T108 PolarHBondContact O-N 3.24Å; T108-I137 HydrophobicContact CG2-CB 4.16Å; T108-I137 HydrophobicContact CG2-CD1 3.93Å; T108-I137 HydrophobicContact CG2-CG2 4.18Å; T108-G138 WeakPolarHBondContact O-CA 3.38Å; T108-G138 PolarHBondContact O-N 2.91Å
109	G	98.4	Very high	98.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	82.8	22.2	173.3	0	0	0	0	0	116.3	V106 Y107 L113 W142	V106-G109 WeakPolarHBondContact O-CA 3.44Å; V106-G109 PolarHBondContact O-N 3.5Å; Y107-G109 VanDerWaalsContact C-N 3.26Å; Y107-G109 PolarHBondContact O-N 3.16Å; G109-L113 VanDerWaalsContact O-CB 3.31Å; G109-L113 WeakPolarHBondContact O-CB 3.44Å; G109-L113 PolarHBondContact O-N 3.48Å; G109-W142 PolarHBondContact O-NE1 3.13Å
110	Y	98.8	Very high	98.7	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.016	7%	0.066	C	C	.	.	H	α-helix	trans	-64.5	-48.1	178.4	-179.2	-92.9	0	0	0	111.7	E60 L64 R68 M80 V81 C83 A86 L113 N114	E60-Y110 WeakPolarHBondContact OE1-CE2 3.44Å; E60-Y110 PolarHBondContact OE1-OH 2.77Å; L64-Y110 HydrophobicContact CB-CE2 4.5Å; L64-Y110 HydrophobicContact CD1-CD1 4.38Å; L64-Y110 HydrophobicContact CD1-CD2 3.45Å; L64-Y110 VanDerWaalsContact CD1-CD2 3.45Å; L64-Y110 HydrophobicContact CD1-CE1 4.32Å; L64-Y110 HydrophobicContact CD1-CE2 3.36Å; L64-Y110 HydrophobicContact CD1-CG 3.98Å; L64-Y110 VanDerWaalsContact CD1-O 3.26Å; L64-Y110 WeakPolarHBondContact CD1-O 3.4Å; L64-Y110 HydrophobicContact CD2-CE2 4.2Å; L64-Y110 HydrophobicContact CG-CD2 4.01Å; L64-Y110 HydrophobicContact CG-CE2 3.36Å; L64-Y110 WeakPolarHBondContact O-CE2 3.34Å; R68-Y110 HydrophobicContact CB-CD2 3.89Å; R68-Y110 HydrophobicContact CB-CE2 3.58Å; R68-Y110 HydrophobicContact CG-CE2 4.33Å; M80-Y110 HydrophobicContact CG-CD1 4.37Å; M80-Y110 HydrophobicContact CG-CG 4.17Å; M80-Y110 HydrophobicContact SD-CD1 4.45Å; M80-Y110 HydrophobicContact SD-CD2 4.18Å; M80-Y110 HydrophobicContact SD-CG 3.98Å; V81-Y110 HydrophobicContact CG1-CD1 3.63Å; V81-Y110 HydrophobicContact CG1-CE1 4.16Å; C83-Y110 WeakPolarHBondContact CA-OH 3.44Å; C83-Y110 HydrophobicContact CB-CE1 4.5Å; C83-Y110 WeakPolarHBondContact CB-OH 3.36Å; A86-Y110 HydrophobicContact CB-CD1 4.23Å; A86-Y110 HydrophobicContact CB-CE1 3.59Å; Y110-L113 PolarHBondContact O-N 3.28Å; Y110-N114 WeakPolarHBondContact O-CB 3.46Å; Y110-N114 PolarHBondContact O-N 2.84Å
111	N	98.6	Very high	98.6	Very high	6 Å²	6	16 Å²	16	3%	0.032	9%	0.087	C	C	.	.	H	α-helix	trans	-69.9	-40.5	176.7	-168	62.8	0	0	0	112	V81 M89 E103 L113 N114 M115 F178	V81-N111 HydrophobicContact CG1-CB 3.84Å; M89-N111 WeakPolarHBondContact CE-OD1 3.44Å; E103-N111 VanDerWaalsContact OE2-C 3.25Å; E103-N111 WeakPolarHBondContact OE2-CB 3.3Å; E103-N111 PolarHBondContact OE2-ND2 2.67Å; N111-L113 VanDerWaalsContact C-N 3.3Å; N111-L113 PolarHBondContact O-N 3.45Å; N111-N114 WeakPolarHBondContact O-CB 3.38Å; N111-N114 PolarHBondContact O-N 3Å; N111-N114 VanDerWaalsContact O-N 3.1Å; N111-M115 PolarHBondContact O-N 3.41Å; N111-F178 HydrophobicContact CB-CD1 4.5Å; N111-F178 HydrophobicContact CB-CE1 4.39Å; N111-F178 VanDerWaalsContact ND2-CD1 3.32Å; N111-F178 WeakPolarHBondContact ND2-CD1 3.37Å
112	T	98.8	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-52.3	-49.2	173.9	-62.4	0	0	0	0	111.2	E103 V106 M115 A116 V125 A127 W142 I151	E103-T112 PolarHBondContact OE1-N 3.39Å; E103-T112 VanDerWaalsContact OE1-N 3.09Å; E103-T112 PolarHBondContact OE1-OG1 3.02Å; E103-T112 VanDerWaalsContact OE2-CA 3.3Å; E103-T112 WeakPolarHBondContact OE2-CA 3.43Å; E103-T112 PolarHBondContact OE2-N 3.42Å; E103-T112 PolarHBondContact OE2-OG1 2.86Å; V106-T112 WeakPolarHBondContact CG1-OG1 3.47Å; T112-M115 PolarHBondContact O-N 3.33Å; T112-A116 WeakPolarHBondContact O-CB 3.47Å; T112-A116 PolarHBondContact O-N 2.88Å; T112-V125 HydrophobicContact CG2-CG1 4.22Å; T112-A127 HydrophobicContact CG2-CB 3.88Å; T112-W142 HydrophobicContact CG2-CH2 4.47Å; T112-W142 HydrophobicContact CG2-CZ2 3.91Å; T112-I151 HydrophobicContact CG2-CD1 3.93Å; T112-I151 HydrophobicContact CG2-CG1 4.05Å; T112-I151 HydrophobicContact CG2-CG2 3.68Å
113	L	98.9	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.2	-46.4	176.4	177.6	53.5	0	0	0	111.9	V63 L64 L67 G109 Y110 N111 M115 A116 L117 F141 A145 V147	V63-L113 HydrophobicContact CG1-CD2 4.27Å; L64-L113 HydrophobicContact CB-CD2 4.33Å; L64-L113 HydrophobicContact CD1-CB 4.02Å; L64-L113 HydrophobicContact CD1-CD2 3.91Å; L64-L113 HydrophobicContact CD1-CG 3.9Å; L67-L113 HydrophobicContact CB-CD2 4.34Å; L67-L113 HydrophobicContact CD2-CB 4.25Å; L67-L113 HydrophobicContact CD2-CD2 3.79Å; G109-L113 VanDerWaalsContact O-CB 3.31Å; G109-L113 WeakPolarHBondContact O-CB 3.44Å; G109-L113 PolarHBondContact O-N 3.48Å; Y110-L113 PolarHBondContact O-N 3.28Å; N111-L113 VanDerWaalsContact C-N 3.3Å; N111-L113 PolarHBondContact O-N 3.45Å; L113-M115 VanDerWaalsContact C-N 3.29Å; L113-M115 PolarHBondContact O-N 3.1Å; L113-A116 PolarHBondContact O-N 3.41Å; L113-L117 HydrophobicContact CD1-CD1 3.84Å; L113-L117 HydrophobicContact CD1-CG 3.98Å; L113-L117 HydrophobicContact CG-CD1 3.93Å; L113-L117 WeakPolarHBondContact O-CB 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.35Å; L113-L117 PolarHBondContact O-N 3.45Å; L113-F141 HydrophobicContact CD2-CB 4.26Å; L113-A145 HydrophobicContact CD1-CB 3.69Å; L113-V147 HydrophobicContact CD1-CG2 3.61Å
114	N	98.8	Very high	98.6	Very high	12 Å²	12	22.7 Å²	22.7	6%	0.064	13%	0.129	C	C	.	.	H	α-helix	trans	-58.4	-40.8	178.6	171.5	77.1	0	0	0	112.3	L64 A86 Y110 N111 S118	L64-N114 HydrophobicContact CD1-CB 4.06Å; L64-N114 HydrophobicContact CD2-CB 3.85Å; A86-N114 HydrophobicContact CB-CB 4.28Å; A86-N114 PolarHBondContact O-ND2 2.89Å; Y110-N114 WeakPolarHBondContact O-CB 3.46Å; Y110-N114 PolarHBondContact O-N 2.84Å; N111-N114 WeakPolarHBondContact O-CB 3.38Å; N111-N114 PolarHBondContact O-N 3Å; N111-N114 VanDerWaalsContact O-N 3.1Å; N114-S118 WeakPolarHBondContact O-CB 3.27Å; N114-S118 PolarHBondContact O-N 2.86Å; N114-S118 PolarHBondContact O-OG 2.98Å
115	M	98.8	Very high	98.6	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	13%	0.129	C	C	.	.	H	α-helix	trans	-70.8	-47.2	177.6	-168.3	52.9	64.2	0	0	111.2	A93 A101 N111 T112 L113 L117 S118 L119 V125 F176	A93-M115 HydrophobicContact CB-CE 3.85Å; A93-M115 HydrophobicContact CB-SD 3.51Å; A93-M115 VanDerWaalsContact CB-SD 3.51Å; A101-M115 HydrophobicContact CB-CG 3.51Å; A101-M115 HydrophobicContact CB-SD 4.21Å; N111-M115 PolarHBondContact O-N 3.41Å; T112-M115 PolarHBondContact O-N 3.33Å; L113-M115 VanDerWaalsContact C-N 3.29Å; L113-M115 PolarHBondContact O-N 3.1Å; M115-L117 VanDerWaalsContact C-N 3.27Å; M115-L117 PolarHBondContact O-N 2.99Å; M115-S118 WeakPolarHBondContact O-CA 3.35Å; M115-S118 WeakPolarHBondContact O-CB 3.32Å; M115-S118 PolarHBondContact O-N 3.29Å; M115-L119 HydrophobicContact CG-CD1 4.23Å; M115-L119 HydrophobicContact CG-CG 4.31Å; M115-L119 WeakPolarHBondContact O-CG 3.31Å; M115-L119 PolarHBondContact O-N 2.87Å; M115-L119 HydrophobicContact SD-CD2 4.2Å; M115-L119 HydrophobicContact SD-CG 4.28Å; M115-V125 HydrophobicContact CB-CG2 4.13Å; M115-V125 HydrophobicContact CG-CG2 3.98Å; M115-F176 HydrophobicContact CE-CD1 3.99Å; M115-F176 HydrophobicContact CE-CE1 4.08Å; M115-F176 HydrophobicContact CE-CG 4.43Å
116	A	98.8	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.3	-35.8	178.1	0	0	0	0	0	113.1	T112 L113 S118 V125 V147 K150 I151	T112-A116 WeakPolarHBondContact O-CB 3.47Å; T112-A116 PolarHBondContact O-N 2.88Å; L113-A116 PolarHBondContact O-N 3.41Å; A116-S118 VanDerWaalsContact C-N 3.26Å; A116-S118 PolarHBondContact O-N 2.89Å; A116-V125 HydrophobicContact CB-CG2 3.97Å; A116-V147 HydrophobicContact CB-CB 4.01Å; A116-V147 HydrophobicContact CB-CG2 3.83Å; A116-K150 HydrophobicContact CB-CB 4.44Å; A116-I151 HydrophobicContact CB-CD1 3.9Å; A116-I151 HydrophobicContact CB-CG1 3.78Å
117	L	98.7	Very high	98.6	Very high	49 Å²	49	21.9 Å²	21.9	26%	0.257	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.5	172.1	-77	168.8	0	0	0	113.9	H61 L64 L113 M115 A145 V147	H61-L117 HydrophobicContact CB-CD1 3.88Å; L64-L117 HydrophobicContact CB-CD1 4.45Å; L113-L117 HydrophobicContact CD1-CD1 3.84Å; L113-L117 HydrophobicContact CD1-CG 3.98Å; L113-L117 HydrophobicContact CG-CD1 3.93Å; L113-L117 WeakPolarHBondContact O-CB 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.35Å; L113-L117 PolarHBondContact O-N 3.45Å; M115-L117 VanDerWaalsContact C-N 3.27Å; M115-L117 PolarHBondContact O-N 2.99Å; L117-A145 HydrophobicContact CD2-CB 4.23Å; L117-V147 HydrophobicContact CD2-CG1 3.96Å; L117-V147 HydrophobicContact CG-CG1 4.43Å
118	S	98.3	Very high	98.6	Very high	16 Å²	16	21 Å²	21	11%	0.112	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-24.3	-174.4	-64.3	0	0	0	0	113.6	A90 N114 M115 A116	A90-S118 WeakPolarHBondContact CB-OG 3.44Å; N114-S118 WeakPolarHBondContact O-CB 3.27Å; N114-S118 PolarHBondContact O-N 2.86Å; N114-S118 PolarHBondContact O-OG 2.98Å; M115-S118 WeakPolarHBondContact O-CA 3.35Å; M115-S118 WeakPolarHBondContact O-CB 3.32Å; M115-S118 PolarHBondContact O-N 3.29Å; A116-S118 VanDerWaalsContact C-N 3.26Å; A116-S118 PolarHBondContact O-N 2.89Å
119	L	98.7	Very high	98.6	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.047	12%	0.123	C	C	.	.	S	Bend	trans	-76.6	155.6	175.3	-63.2	178.2	0	0	0	111.2	A98 A101 M115 A124 V125	A98-L119 HydrophobicContact CB-CD2 3.7Å; A98-L119 WeakPolarHBondContact O-CD2 3.49Å; A101-L119 HydrophobicContact CB-CD1 4.11Å; M115-L119 HydrophobicContact CG-CD1 4.23Å; M115-L119 HydrophobicContact CG-CG 4.31Å; M115-L119 WeakPolarHBondContact O-CG 3.31Å; M115-L119 PolarHBondContact O-N 2.87Å; M115-L119 HydrophobicContact SD-CD2 4.2Å; M115-L119 HydrophobicContact SD-CG 4.28Å; L119-A124 WeakPolarHBondContact CD1-O 3.48Å; L119-V125 HydrophobicContact CD1-CG2 3.62Å
120	P	98.4	Very high	98.6	Very high	52 Å²	52	28.1 Å²	28.1	34%	0.338	16%	0.155	S	C	.	.			trans	-63.2	175.7	174.6	28.4	-35.6	0	0	0	112.2	A98 K99 D122 G123 K150	A98-P120 VanDerWaalsContact O-CD 3.26Å; A98-P120 WeakPolarHBondContact O-CD 3.46Å; K99-P120 HydrophobicContact CD-CG 4.47Å; K99-P120 HydrophobicContact CG-CG 3.9Å; P120-D122 VanDerWaalsContact C-N 3.29Å; P120-D122 WeakPolarHBondContact CB-OD1 3.47Å; P120-D122 WeakPolarHBondContact CG-OD1 3.48Å; P120-D122 PolarHBondContact O-N 2.85Å; P120-G123 PolarHBondContact O-N 2.8Å; P120-K150 WeakPolarHBondContact O-CE 3.33Å; P120-K150 PolarHBondContact O-NZ 3.01Å
121	E	97.7	Very high	98.5	Very high	134 Å²	134	29 Å²	29	63%	0.626	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.8	-177.4	-164.8	62	-178.1	0	0	113.6	G123 H149 K150	E121-G123 PolarHBondContact O-N 3.33Å; E121-H149 IonicContact OE1-CE1 3.16Å; E121-H149 PolarHBondContact OE1-CE1 3.09Å; E121-H149 IonicContact OE1-NE2 2.68Å; E121-H149 PolarHBondContact OE1-NE2 3.34Å; E121-K150 WeakPolarHBondContact O-CE 3.25Å; E121-K150 VanDerWaalsContact OE2-CE 3.26Å; E121-K150 WeakPolarHBondContact OE2-CE 3.47Å; E121-K150 IonicContact OE2-NZ 3.75Å; E121-K150 PolarHBondContact OE2-NZ 3.11Å
122	D	98	Very high	98.5	Very high	109 Å²	109	33.9 Å²	33.9	58%	0.583	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	11.8	172.9	66.5	-32.1	0	0	0	113.3	K99 P120	K99-D122 IonicContact NZ-OD1 3.83Å; K99-D122 IonicContact NZ-OD2 3.39Å; K99-D122 PolarHBondContact NZ-OD2 2.74Å; P120-D122 VanDerWaalsContact C-N 3.29Å; P120-D122 WeakPolarHBondContact CB-OD1 3.47Å; P120-D122 WeakPolarHBondContact CG-OD1 3.48Å; P120-D122 PolarHBondContact O-N 2.85Å
123	G	98.6	Very high	98.4	Very high	5 Å²	5	40.8 Å²	40.8	5%	0.052	22%	0.216	C	C	.	.			trans	-82	159.2	180	0	0	0	0	0	113.5	K99 P120 E121 K150	K99-G123 CarbonylContact O-C 3.57Å; K99-G123 WeakPolarHBondContact O-CA 3.26Å; P120-G123 PolarHBondContact O-N 2.8Å; E121-G123 PolarHBondContact O-N 3.33Å; G123-K150 WeakPolarHBondContact O-CB 3.33Å; G123-K150 WeakPolarHBondContact O-CG 3.42Å
124	A	98.8	Very high	98.4	Very high	35 Å²	35	43 Å²	43	29%	0.289	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143	179.3	0	0	0	0	0	112.4	K99 K100 A101 L119 K150	K99-A124 PolarHBondContact O-N 2.79Å; K100-A124 CarbonylContact C-O 3.25Å; K100-A124 WeakPolarHBondContact CA-O 3.44Å; A101-A124 PolarHBondContact N-O 3.44Å; L119-A124 WeakPolarHBondContact CD1-O 3.48Å; A124-K150 CarbonylContact C-O 3.55Å; A124-K150 VanDerWaalsContact CA-O 3.3Å; A124-K150 WeakPolarHBondContact CA-O 3.26Å
125	V	98.9	Very high	98.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.9	170.4	-173.8	0	0	0	0	107.9	A101 T112 M115 A116 L119 K150 I151 D152	A101-V125 HydrophobicContact CB-CG2 4.38Å; A101-V125 CarbonylContact O-C 3.57Å; A101-V125 WeakPolarHBondContact O-CA 3.44Å; T112-V125 HydrophobicContact CG2-CG1 4.22Å; M115-V125 HydrophobicContact CB-CG2 4.13Å; M115-V125 HydrophobicContact CG-CG2 3.98Å; A116-V125 HydrophobicContact CB-CG2 3.97Å; L119-V125 HydrophobicContact CD1-CG2 3.62Å; V125-K150 PolarHBondContact N-O 3.09Å; V125-I151 WeakPolarHBondContact O-CA 3.39Å; V125-D152 PolarHBondContact O-N 2.92Å
126	V	98.9	Very high	98.3	Very high	5 Å²	5	46 Å²	46	3%	0.03	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.3	165.5	-178.7	0	0	0	0	107.4	A101 L102 E103 D152 R154 T161 L165 F174	A101-V126 PolarHBondContact O-N 2.92Å; L102-V126 CarbonylContact C-O 3.58Å; L102-V126 WeakPolarHBondContact CA-O 3.26Å; L102-V126 HydrophobicContact CD1-CB 4Å; L102-V126 HydrophobicContact CD1-CG1 3.97Å; E103-V126 PolarHBondContact N-O 2.88Å; V126-D152 WeakPolarHBondContact CA-O 3.3Å; V126-D152 HydrophobicContact CG2-CB 4.39Å; V126-R154 HydrophobicContact CG1-CG 4.28Å; V126-T161 HydrophobicContact CG1-CG2 4.36Å; V126-L165 HydrophobicContact CG1-CD1 4.33Å; V126-F174 HydrophobicContact CB-CE1 4.11Å; V126-F174 HydrophobicContact CB-CZ 4.34Å; V126-F174 HydrophobicContact CG2-CE1 3.85Å; V126-F174 HydrophobicContact CG2-CZ 3.91Å
127	A	98.9	Very high	98.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.3	-173.3	0	0	0	0	0	109.5	V106 T112 I151 D152 L153 R154	V106-A127 HydrophobicContact CG2-CB 3.68Å; T112-A127 HydrophobicContact CG2-CB 3.88Å; A127-I151 HydrophobicContact CB-CG2 4.3Å; A127-D152 PolarHBondContact N-O 3.26Å; A127-L153 HydrophobicContact CB-CD1 4.09Å; A127-L153 CarbonylContact O-C 3.42Å; A127-L153 WeakPolarHBondContact O-CA 3.4Å; A127-R154 PolarHBondContact O-N 2.92Å
128	C	98.9	Very high	98.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.9	-175	-55.2	0	0	0	0	111	E103 G105 A158 T161	E103-C128 WeakPolarHBondContact O-CB 3.05Å; E103-C128 PolarHBondContact O-N 3.26Å; G105-C128 WeakPolarHBondContact CA-O 3.38Å; G105-C128 PolarHBondContact N-O 3.19Å; C128-A158 HydrophobicContact CB-CB 3.95Å; C128-T161 VanDerWaalsContact SG-CG2 3.57Å
129	D	98.6	Very high	98.2	Very high	20 Å²	20	46.7 Å²	46.7	11%	0.107	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	163.8	171.8	-149.8	-73.7	0	0	0	110.6	V106 Y107 S131 T135 R154 I155 Q156	V106-D129 WeakPolarHBondContact CA-OD2 3.46Å; V106-D129 HydrophobicContact CB-CB 3.88Å; V106-D129 WeakPolarHBondContact CB-OD2 3.32Å; V106-D129 HydrophobicContact CG2-CB 4.01Å; V106-D129 PolarHBondContact N-OD2 2.83Å; Y107-D129 PolarHBondContact N-OD2 3.24Å; D129-S131 PolarHBondContact OD1-N 2.87Å; D129-T135 HydrophobicContact CB-CG2 3.79Å; D129-R154 PolarHBondContact N-O 3.19Å; D129-R154 VanDerWaalsContact N-O 3.07Å; D129-R154 VanDerWaalsContact O-O 3.05Å; D129-I155 HydrophobicContact CB-CD1 4.37Å; D129-I155 CarbonylContact O-C 3.41Å; D129-I155 VanDerWaalsContact O-CA 3.23Å; D129-I155 WeakPolarHBondContact O-CA 3.25Å; D129-Q156 PolarHBondContact O-N 2.75Å; D129-Q156 VanDerWaalsContact O-O 3.13Å
130	I	98	Very high	98.3	Very high	131 Å²	131	50.1 Å²	50.1	67%	0.672	26%	0.263	S	S	*	.	S	Bend	trans	-98.6	-18.7	172.6	61.2	170.8	0	0	0	112
131	S	97.5	Very high	98.3	Very high	23 Å²	23	49.1 Å²	49.1	16%	0.161	25%	0.254	C	S	.	.			trans	-103.6	106.7	-173.2	-177.8	0	0	0	0	111.6	D129 E133 Y134 T135	D129-S131 PolarHBondContact OD1-N 2.87Å; S131-E133 VanDerWaalsContact C-N 3.27Å; S131-E133 PolarHBondContact OG-N 3.49Å; S131-Y134 WeakPolarHBondContact OG-CD2 3.38Å; S131-Y134 PolarHBondContact OG-N 2.94Å; S131-T135 VanDerWaalsContact O-CG2 3.28Å; S131-T135 WeakPolarHBondContact O-CG2 3.42Å; S131-T135 PolarHBondContact O-N 3.01Å; S131-T135 PolarHBondContact O-OG1 3.09Å
132	E	97.2	Very high	98.3	Very high	108 Å²	108	43 Å²	43	51%	0.505	23%	0.225	S	C	.	.	H	α-helix	trans	-65.6	-34.3	167.6	-175.5	165.9	-134.3	0	0	111.7	Y134 T135 N136 K139 I155	E132-Y134 PolarHBondContact O-N 3.25Å; E132-T135 WeakPolarHBondContact CA-OG1 3.13Å; E132-T135 PolarHBondContact O-N 2.94Å; E132-T135 PolarHBondContact O-OG1 2.59Å; E132-T135 VanDerWaalsContact O-OG1 3.11Å; E132-N136 WeakPolarHBondContact O-CB 3.46Å; E132-N136 PolarHBondContact O-N 3.38Å; E132-N136 PolarHBondContact O-ND2 3.09Å; E132-K139 IonicContact OE1-NZ 2.68Å; E132-I155 HydrophobicContact CB-CG1 4.45Å; E132-I155 HydrophobicContact CB-CG2 4.24Å
133	E	97.5	Very high	98.4	Very high	145 Å²	145	44.9 Å²	44.9	68%	0.678	23%	0.228	S	C	*	.	H	α-helix	trans	-56.1	-50.9	-179.8	-177.6	-174.3	163.4	0	0	111.8	S131	S131-E133 VanDerWaalsContact C-N 3.27Å; S131-E133 PolarHBondContact OG-N 3.49Å
134	Y	97.7	Very high	98.4	Very high	47 Å²	47	50.5 Å²	50.5	18%	0.184	25%	0.253	C	S	.	.	H	α-helix	trans	-71.2	-41.9	-179.1	-68.3	-52.9	0	0	0	112.2	Y107 S131 E132 N136 I137	Y107-Y134 AromaticContact CD2-CD1 3.91Å; Y107-Y134 HydrophobicContact CD2-CD1 3.91Å; Y107-Y134 HydrophobicContact CD2-CD2 4.05Å; Y107-Y134 HydrophobicContact CD2-CE1 4.46Å; Y107-Y134 AromaticContact CD2-CG 3.7Å; Y107-Y134 HydrophobicContact CD2-CG 3.7Å; Y107-Y134 AromaticContact CE2-CD1 3.53Å; Y107-Y134 HydrophobicContact CE2-CD1 3.53Å; Y107-Y134 HydrophobicContact CE2-CD2 4.33Å; Y107-Y134 AromaticContact CE2-CE1 3.8Å; Y107-Y134 HydrophobicContact CE2-CE1 3.8Å; Y107-Y134 AromaticContact CE2-CG 3.84Å; Y107-Y134 HydrophobicContact CE2-CG 3.84Å; Y107-Y134 CarbonylContact O-C 3.5Å; S131-Y134 WeakPolarHBondContact OG-CD2 3.38Å; S131-Y134 PolarHBondContact OG-N 2.94Å; E132-Y134 PolarHBondContact O-N 3.25Å; Y134-N136 PolarHBondContact O-N 3.48Å; Y134-I137 HydrophobicContact CD1-CD1 4.44Å; Y134-I137 VanDerWaalsContact O-CB 3.26Å; Y134-I137 WeakPolarHBondContact O-CB 3.32Å; Y134-I137 PolarHBondContact O-N 2.92Å
135	T	97.7	Very high	98.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-28.5	-177.9	57	0	0	0	0	112	V106 Y107 D129 S131 E132 I137 G138 K139 L153 I155	V106-T135 HydrophobicContact CB-CG2 4.09Å; V106-T135 HydrophobicContact CG1-CG2 3.86Å; Y107-T135 WeakPolarHBondContact O-CA 3.37Å; Y107-T135 WeakPolarHBondContact O-CG2 3.41Å; Y107-T135 PolarHBondContact O-N 3.33Å; D129-T135 HydrophobicContact CB-CG2 3.79Å; S131-T135 VanDerWaalsContact O-CG2 3.28Å; S131-T135 WeakPolarHBondContact O-CG2 3.42Å; S131-T135 PolarHBondContact O-N 3.01Å; S131-T135 PolarHBondContact O-OG1 3.09Å; E132-T135 WeakPolarHBondContact CA-OG1 3.13Å; E132-T135 PolarHBondContact O-N 2.94Å; E132-T135 PolarHBondContact O-OG1 2.59Å; E132-T135 VanDerWaalsContact O-OG1 3.11Å; T135-I137 PolarHBondContact O-N 3.35Å; T135-G138 PolarHBondContact O-N 3.12Å; T135-K139 PolarHBondContact O-N 3.49Å; T135-K139 VanDerWaalsContact O-N 3.16Å; T135-L153 HydrophobicContact CG2-CD1 4Å; T135-L153 HydrophobicContact CG2-CD2 4.36Å; T135-I155 HydrophobicContact CG2-CD1 4.12Å
136	N	98.2	Very high	98.3	Very high	77 Å²	77	52.1 Å²	52.1	41%	0.412	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-22.3	171.8	-77.4	-19.2	0	0	0	113.8	E132 Y134 G138 K139 P140	E132-N136 WeakPolarHBondContact O-CB 3.46Å; E132-N136 PolarHBondContact O-N 3.38Å; E132-N136 PolarHBondContact O-ND2 3.09Å; Y134-N136 PolarHBondContact O-N 3.48Å; N136-G138 VanDerWaalsContact C-N 3.34Å; N136-K139 WeakPolarHBondContact OD1-CD 3.41Å; N136-K139 WeakPolarHBondContact OD1-CE 3.3Å; N136-K139 PolarHBondContact OD1-NZ 3.47Å; N136-P140 VanDerWaalsContact O-CD 3.29Å; N136-P140 WeakPolarHBondContact O-CD 3.2Å
137	I	98.3	Very high	98.3	Very high	26 Å²	26	52.3 Å²	52.3	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-38.4	172.1	-59.7	173.9	0	0	0	110.4	L67 R70 T108 Y134 T135 F141	L67-I137 HydrophobicContact CD1-CG2 4.48Å; R70-I137 HydrophobicContact CG-CG2 3.81Å; T108-I137 HydrophobicContact CG2-CB 4.16Å; T108-I137 HydrophobicContact CG2-CD1 3.93Å; T108-I137 HydrophobicContact CG2-CG2 4.18Å; Y134-I137 HydrophobicContact CD1-CD1 4.44Å; Y134-I137 VanDerWaalsContact O-CB 3.26Å; Y134-I137 WeakPolarHBondContact O-CB 3.32Å; Y134-I137 PolarHBondContact O-N 2.92Å; T135-I137 PolarHBondContact O-N 3.35Å; I137-F141 WeakPolarHBondContact O-CD2 3.18Å; I137-F141 VanDerWaalsContact O-CE2 3.29Å; I137-F141 WeakPolarHBondContact O-CE2 3.44Å
138	G	98.2	Very high	98.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-80.8	-37	-176.1	0	0	0	0	0	114.9	T108 T135 N136 P140 F141 W142	T108-G138 WeakPolarHBondContact O-CA 3.38Å; T108-G138 PolarHBondContact O-N 2.91Å; T135-G138 PolarHBondContact O-N 3.12Å; N136-G138 VanDerWaalsContact C-N 3.34Å; G138-P140 VanDerWaalsContact C-CD 3.49Å; G138-F141 WeakPolarHBondContact O-CA 3.4Å; G138-F141 WeakPolarHBondContact O-CB 3.42Å; G138-F141 PolarHBondContact O-N 2.96Å; G138-W142 PolarHBondContact O-N 2.81Å; G138-W142 VanDerWaalsContact O-N 3.13Å
139	K	98.6	Very high	98.3	Very high	54 Å²	54	62 Å²	62	24%	0.235	32%	0.317	C	S	.	.	H	α-helix	trans	-47.5	-46.9	-174.6	-71.9	174.8	-173.3	169.2	0	114.3	E132 T135 N136 F141 W142 K143	E132-K139 IonicContact OE1-NZ 2.68Å; T135-K139 PolarHBondContact O-N 3.49Å; T135-K139 VanDerWaalsContact O-N 3.16Å; N136-K139 WeakPolarHBondContact OD1-CD 3.41Å; N136-K139 WeakPolarHBondContact OD1-CE 3.3Å; N136-K139 PolarHBondContact OD1-NZ 3.47Å; K139-F141 VanDerWaalsContact C-N 3.26Å; K139-F141 PolarHBondContact O-N 2.82Å; K139-W142 HydrophobicContact CB-CE3 4.27Å; K139-W142 HydrophobicContact CB-CZ3 4.49Å; K139-W142 HydrophobicContact CG-CE3 3.82Å; K139-W142 HydrophobicContact CG-CH2 4.35Å; K139-W142 HydrophobicContact CG-CZ3 3.59Å; K139-W142 WeakPolarHBondContact O-CB 3.41Å; K139-W142 PolarHBondContact O-N 3.38Å; K139-K143 PolarHBondContact O-N 3.34Å; K139-K143 VanDerWaalsContact O-N 3.16Å
140	P	98.8	Very high	98.3	Very high	80 Å²	80	61.7 Å²	61.7	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-58.9	-35.4	177.9	-24.9	35.4	0	0	0	113.7	N136 G138 K143 E144	N136-P140 VanDerWaalsContact O-CD 3.29Å; N136-P140 WeakPolarHBondContact O-CD 3.2Å; G138-P140 VanDerWaalsContact C-CD 3.49Å; P140-K143 PolarHBondContact O-N 2.96Å; P140-E144 WeakPolarHBondContact O-CB 3.27Å; P140-E144 PolarHBondContact O-N 3.1Å
141	F	98.8	Very high	98.3	Very high	32 Å²	32	56.5 Å²	56.5	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-76.9	-32.9	-180	-61.2	-87.2	0	0	0	112	V63 L67 R70 L113 I137 G138 K139 K143 E144 A145	V63-F141 HydrophobicContact CG1-CB 3.9Å; V63-F141 HydrophobicContact CG1-CD1 4.15Å; V63-F141 VanDerWaalsContact CG1-O 3.25Å; V63-F141 WeakPolarHBondContact CG1-O 3.45Å; L67-F141 HydrophobicContact CB-CB 4.09Å; L67-F141 HydrophobicContact CB-CD1 4.02Å; L67-F141 HydrophobicContact CB-CD2 4.19Å; L67-F141 HydrophobicContact CB-CG 3.83Å; L67-F141 HydrophobicContact CD1-CD2 3.64Å; L67-F141 HydrophobicContact CD1-CE2 3.97Å; L67-F141 HydrophobicContact CD1-CG 4.14Å; L67-F141 HydrophobicContact CD2-CB 4.35Å; L67-F141 HydrophobicContact CG-CD2 4.4Å; L67-F141 HydrophobicContact CG-CG 4.43Å; R70-F141 HydrophobicContact CB-CE2 4.23Å; R70-F141 HydrophobicContact CB-CZ 3.85Å; R70-F141 HydrophobicContact CG-CE2 4.09Å; R70-F141 HydrophobicContact CG-CZ 4.07Å; L113-F141 HydrophobicContact CD2-CB 4.26Å; I137-F141 WeakPolarHBondContact O-CD2 3.18Å; I137-F141 VanDerWaalsContact O-CE2 3.29Å; I137-F141 WeakPolarHBondContact O-CE2 3.44Å; G138-F141 WeakPolarHBondContact O-CA 3.4Å; G138-F141 WeakPolarHBondContact O-CB 3.42Å; G138-F141 PolarHBondContact O-N 2.96Å; K139-F141 VanDerWaalsContact C-N 3.26Å; K139-F141 PolarHBondContact O-N 2.82Å; F141-K143 VanDerWaalsContact C-N 3.28Å; F141-K143 PolarHBondContact O-N 3.38Å; F141-E144 PolarHBondContact O-N 2.76Å; F141-A145 VanDerWaalsContact O-CB 3.27Å; F141-A145 WeakPolarHBondContact O-CB 3.34Å; F141-A145 PolarHBondContact O-N 3.19Å
142	W	98.8	Very high	98.4	Very high	6 Å²	6	58.4 Å²	58.4	2%	0.023	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-41	172	-56.9	-17.2	0	0	0	111.5	V106 G109 T112 G138 K139 G146 V147 E148 I151 L153	V106-W142 HydrophobicContact CG1-CH2 4.4Å; V106-W142 HydrophobicContact CG1-CZ2 4.17Å; G109-W142 PolarHBondContact O-NE1 3.13Å; T112-W142 HydrophobicContact CG2-CH2 4.47Å; T112-W142 HydrophobicContact CG2-CZ2 3.91Å; G138-W142 PolarHBondContact O-N 2.81Å; G138-W142 VanDerWaalsContact O-N 3.13Å; K139-W142 HydrophobicContact CB-CE3 4.27Å; K139-W142 HydrophobicContact CB-CZ3 4.49Å; K139-W142 HydrophobicContact CG-CE3 3.82Å; K139-W142 HydrophobicContact CG-CH2 4.35Å; K139-W142 HydrophobicContact CG-CZ3 3.59Å; K139-W142 WeakPolarHBondContact O-CB 3.41Å; K139-W142 PolarHBondContact O-N 3.38Å; W142-G146 PolarHBondContact O-N 2.9Å; W142-V147 PolarHBondContact O-N 3.15Å; W142-V147 VanDerWaalsContact O-N 3.08Å; W142-E148 HydrophobicContact CB-CB 4.36Å; W142-E148 PolarHBondContact O-N 3.13Å; W142-I151 HydrophobicContact CB-CD1 3.81Å; W142-I151 HydrophobicContact CD2-CD1 3.63Å; W142-I151 HydrophobicContact CE3-CD1 4.03Å; W142-I151 HydrophobicContact CE3-CG2 4.09Å; W142-I151 HydrophobicContact CG-CD1 3.52Å; W142-I151 HydrophobicContact CH2-CG2 4.3Å; W142-I151 HydrophobicContact CZ3-CG2 3.95Å; W142-L153 HydrophobicContact CH2-CD1 4.23Å; W142-L153 HydrophobicContact CH2-CD2 4.04Å; W142-L153 HydrophobicContact CZ3-CB 4.41Å; W142-L153 HydrophobicContact CZ3-CD2 3.99Å
143	K	98.8	Very high	98.5	Very high	147 Å²	147	55 Å²	55	64%	0.639	28%	0.281	S	S	*	.	H	α-helix	trans	-67.8	-46.5	174.1	-175.2	174.8	-178.1	174.4	0	112.2	K139 P140 F141 A145 G146 E148	K139-K143 PolarHBondContact O-N 3.34Å; K139-K143 VanDerWaalsContact O-N 3.16Å; P140-K143 PolarHBondContact O-N 2.96Å; F141-K143 VanDerWaalsContact C-N 3.28Å; F141-K143 PolarHBondContact O-N 3.38Å; K143-A145 PolarHBondContact O-N 3.4Å; K143-G146 PolarHBondContact O-N 3.38Å; K143-E148 HydrophobicContact CB-CB 4.48Å
144	E	98.7	Very high	98.5	Very high	124 Å²	124	51.1 Å²	51.1	58%	0.579	26%	0.26	S	S	*	.	H	α-helix	trans	-57.1	-39.2	176.4	-175.1	-173	155.8	0	0	111.9	V63 P140 F141 G146	V63-E144 HydrophobicContact CG1-CB 4.07Å; V63-E144 HydrophobicContact CG1-CG 4.17Å; V63-E144 HydrophobicContact CG2-CG 3.97Å; P140-E144 WeakPolarHBondContact O-CB 3.27Å; P140-E144 PolarHBondContact O-N 3.1Å; F141-E144 PolarHBondContact O-N 2.76Å; E144-G146 PolarHBondContact O-N 3.27Å
145	A	98.6	Very high	98.6	Very high	22 Å²	22	52 Å²	52	18%	0.182	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-6.9	176.1	0	0	0	0	0	114.2	V63 L113 L117 F141 K143 V147	V63-A145 HydrophobicContact CB-CB 4.13Å; V63-A145 HydrophobicContact CG1-CB 3.93Å; V63-A145 HydrophobicContact CG2-CB 4.34Å; L113-A145 HydrophobicContact CD1-CB 3.69Å; L117-A145 HydrophobicContact CD2-CB 4.23Å; F141-A145 VanDerWaalsContact O-CB 3.27Å; F141-A145 WeakPolarHBondContact O-CB 3.34Å; F141-A145 PolarHBondContact O-N 3.19Å; K143-A145 PolarHBondContact O-N 3.4Å; A145-V147 VanDerWaalsContact C-N 3.29Å; A145-V147 HydrophobicContact CB-CG2 4.03Å; A145-V147 PolarHBondContact O-N 3.48Å
146	G	98.5	Very high	98.6	Very high	46 Å²	46	53.9 Å²	53.9	47%	0.474	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	12.9	-179.5	0	0	0	0	0	115	W142 K143 E144 H149	W142-G146 PolarHBondContact O-N 2.9Å; K143-G146 PolarHBondContact O-N 3.38Å; E144-G146 PolarHBondContact O-N 3.27Å; G146-H149 PolarHBondContact O-CE1 3.35Å; G146-H149 PolarHBondContact O-ND1 2.96Å; G146-H149 VanDerWaalsContact O-ND1 3.09Å
147	V	98.8	Very high	98.6	Very high	9 Å²	9	54 Å²	54	6%	0.055	28%	0.281	C	S	.	.			trans	-111.5	4.1	-174.3	-61	0	0	0	0	114.2	L113 A116 L117 W142 A145 H149 K150 I151	L113-V147 HydrophobicContact CD1-CG2 3.61Å; A116-V147 HydrophobicContact CB-CB 4.01Å; A116-V147 HydrophobicContact CB-CG2 3.83Å; L117-V147 HydrophobicContact CD2-CG1 3.96Å; L117-V147 HydrophobicContact CG-CG1 4.43Å; W142-V147 PolarHBondContact O-N 3.15Å; W142-V147 VanDerWaalsContact O-N 3.08Å; A145-V147 VanDerWaalsContact C-N 3.29Å; A145-V147 HydrophobicContact CB-CG2 4.03Å; A145-V147 PolarHBondContact O-N 3.48Å; V147-H149 PolarHBondContact O-N 2.92Å; V147-H149 VanDerWaalsContact O-N 3.13Å; V147-K150 HydrophobicContact CB-CD 4.45Å; V147-K150 WeakPolarHBondContact O-CB 3.41Å; V147-K150 PolarHBondContact O-N 3.34Å; V147-I151 HydrophobicContact CG2-CD1 4.39Å
148	E	98.5	Very high	98.7	Very high	88 Å²	88	53.1 Å²	53.1	41%	0.411	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-50.6	-37.9	177.3	-179	175.2	-138.3	0	0	112.4	W142 K143 K150 I151	W142-E148 HydrophobicContact CB-CB 4.36Å; W142-E148 PolarHBondContact O-N 3.13Å; K143-E148 HydrophobicContact CB-CB 4.48Å; E148-K150 PolarHBondContact O-N 3.47Å; E148-K150 VanDerWaalsContact O-N 3.15Å; E148-I151 PolarHBondContact O-N 3.11Å
149	H	98.5	Very high	98.7	Very high	118 Å²	118	55.1 Å²	55.1	55%	0.546	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-63.5	-18.5	178.7	69.5	-90.8	0	0	0	114.4	E121 G146 V147	E121-H149 IonicContact OE1-CE1 3.16Å; E121-H149 PolarHBondContact OE1-CE1 3.09Å; E121-H149 IonicContact OE1-NE2 2.68Å; E121-H149 PolarHBondContact OE1-NE2 3.34Å; G146-H149 PolarHBondContact O-CE1 3.35Å; G146-H149 PolarHBondContact O-ND1 2.96Å; G146-H149 VanDerWaalsContact O-ND1 3.09Å; V147-H149 PolarHBondContact O-N 2.92Å; V147-H149 VanDerWaalsContact O-N 3.13Å
150	K	98.8	Very high	98.7	Very high	13 Å²	13	57 Å²	57	6%	0.057	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-87.8	-13.3	176.2	-54.8	-173.9	-174.8	178.4	0	112.3	A116 P120 E121 G123 A124 V125 V147 E148	A116-K150 HydrophobicContact CB-CB 4.44Å; P120-K150 WeakPolarHBondContact O-CE 3.33Å; P120-K150 PolarHBondContact O-NZ 3.01Å; E121-K150 WeakPolarHBondContact O-CE 3.25Å; E121-K150 VanDerWaalsContact OE2-CE 3.26Å; E121-K150 WeakPolarHBondContact OE2-CE 3.47Å; E121-K150 IonicContact OE2-NZ 3.75Å; E121-K150 PolarHBondContact OE2-NZ 3.11Å; G123-K150 WeakPolarHBondContact O-CB 3.33Å; G123-K150 WeakPolarHBondContact O-CG 3.42Å; A124-K150 CarbonylContact C-O 3.55Å; A124-K150 VanDerWaalsContact CA-O 3.3Å; A124-K150 WeakPolarHBondContact CA-O 3.26Å; V125-K150 PolarHBondContact N-O 3.09Å; V147-K150 HydrophobicContact CB-CD 4.45Å; V147-K150 WeakPolarHBondContact O-CB 3.41Å; V147-K150 PolarHBondContact O-N 3.34Å; E148-K150 PolarHBondContact O-N 3.47Å; E148-K150 VanDerWaalsContact O-N 3.15Å
151	I	98.9	Very high	98.7	Very high	22 Å²	22	53.1 Å²	53.1	11%	0.113	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.7	-169.2	-60.6	166.6	0	0	0	109.5	T112 A116 V125 A127 W142 V147 E148	T112-I151 HydrophobicContact CG2-CD1 3.93Å; T112-I151 HydrophobicContact CG2-CG1 4.05Å; T112-I151 HydrophobicContact CG2-CG2 3.68Å; A116-I151 HydrophobicContact CB-CD1 3.9Å; A116-I151 HydrophobicContact CB-CG1 3.78Å; V125-I151 WeakPolarHBondContact O-CA 3.39Å; A127-I151 HydrophobicContact CB-CG2 4.3Å; W142-I151 HydrophobicContact CB-CD1 3.81Å; W142-I151 HydrophobicContact CD2-CD1 3.63Å; W142-I151 HydrophobicContact CE3-CD1 4.03Å; W142-I151 HydrophobicContact CE3-CG2 4.09Å; W142-I151 HydrophobicContact CG-CD1 3.52Å; W142-I151 HydrophobicContact CH2-CG2 4.3Å; W142-I151 HydrophobicContact CZ3-CG2 3.95Å; V147-I151 HydrophobicContact CG2-CD1 4.39Å; E148-I151 PolarHBondContact O-N 3.11Å
152	D	98.8	Very high	98.7	Very high	62 Å²	62	51.6 Å²	51.6	33%	0.332	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	89.1	172.1	-179.6	11.1	0	0	0	109.1	V125 V126 A127 R154	V125-D152 PolarHBondContact O-N 2.92Å; V126-D152 WeakPolarHBondContact CA-O 3.3Å; V126-D152 HydrophobicContact CG2-CB 4.39Å; A127-D152 PolarHBondContact N-O 3.26Å; D152-R154 VanDerWaalsContact CG-NE 3.28Å; D152-R154 IonicContact OD1-CZ 2.98Å; D152-R154 IonicContact OD1-NE 2.69Å; D152-R154 PolarHBondContact OD1-NE 2.9Å; D152-R154 IonicContact OD1-NH2 2.63Å; D152-R154 IonicContact OD2-CZ 3Å; D152-R154 VanDerWaalsContact OD2-CZ 3.32Å; D152-R154 IonicContact OD2-NE 2.91Å; D152-R154 PolarHBondContact OD2-NE 2.82Å; D152-R154 IonicContact OD2-NH2 3.67Å; D152-R154 PolarHBondContact OD2-NH2 3Å
153	L	98.8	Very high	98.7	Very high	36 Å²	36	54.5 Å²	54.5	19%	0.188	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	124.7	-179.3	179.6	67.1	0	0	0	111.2	V106 A127 T135 W142 I155	V106-L153 HydrophobicContact CG2-CD1 4.28Å; A127-L153 HydrophobicContact CB-CD1 4.09Å; A127-L153 CarbonylContact O-C 3.42Å; A127-L153 WeakPolarHBondContact O-CA 3.4Å; T135-L153 HydrophobicContact CG2-CD1 4Å; T135-L153 HydrophobicContact CG2-CD2 4.36Å; W142-L153 HydrophobicContact CH2-CD1 4.23Å; W142-L153 HydrophobicContact CH2-CD2 4.04Å; W142-L153 HydrophobicContact CZ3-CB 4.41Å; W142-L153 HydrophobicContact CZ3-CD2 3.99Å; L153-I155 HydrophobicContact CD1-CD1 4.02Å; L153-I155 HydrophobicContact CD2-CD1 3.96Å; L153-I155 HydrophobicContact CD2-CG1 4.4Å; L153-I155 HydrophobicContact CG-CD1 3.9Å; L153-I155 HydrophobicContact CG-CG1 4.34Å
154	R	98.7	Very high	98.7	Very high	65 Å²	65	50.9 Å²	50.9	25%	0.245	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.4	178.1	-55	-58.9	-174.4	82	6	110.2	V126 A127 D129 D152 Q156 T161	V126-R154 HydrophobicContact CG1-CG 4.28Å; A127-R154 PolarHBondContact O-N 2.92Å; D129-R154 PolarHBondContact N-O 3.19Å; D129-R154 VanDerWaalsContact N-O 3.07Å; D129-R154 VanDerWaalsContact O-O 3.05Å; D152-R154 VanDerWaalsContact CG-NE 3.28Å; D152-R154 IonicContact OD1-CZ 2.98Å; D152-R154 IonicContact OD1-NE 2.69Å; D152-R154 PolarHBondContact OD1-NE 2.9Å; D152-R154 IonicContact OD1-NH2 2.63Å; D152-R154 IonicContact OD2-CZ 3Å; D152-R154 VanDerWaalsContact OD2-CZ 3.32Å; D152-R154 IonicContact OD2-NE 2.91Å; D152-R154 PolarHBondContact OD2-NE 2.82Å; D152-R154 IonicContact OD2-NH2 3.67Å; D152-R154 PolarHBondContact OD2-NH2 3Å; R154-Q156 PolarHBondContact O-N 2.83Å; R154-T161 HydrophobicContact CB-CG2 4.12Å; R154-T161 HydrophobicContact CG-CG2 3.88Å
155	I	98.7	Very high	98.7	Very high	64 Å²	64	45.4 Å²	45.4	33%	0.328	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	87.1	177.3	-55.7	-57.6	0	0	0	110.1	D129 E132 T135 L153	D129-I155 HydrophobicContact CB-CD1 4.37Å; D129-I155 CarbonylContact O-C 3.41Å; D129-I155 VanDerWaalsContact O-CA 3.23Å; D129-I155 WeakPolarHBondContact O-CA 3.25Å; E132-I155 HydrophobicContact CB-CG1 4.45Å; E132-I155 HydrophobicContact CB-CG2 4.24Å; T135-I155 HydrophobicContact CG2-CD1 4.12Å; L153-I155 HydrophobicContact CD1-CD1 4.02Å; L153-I155 HydrophobicContact CD2-CD1 3.96Å; L153-I155 HydrophobicContact CD2-CG1 4.4Å; L153-I155 HydrophobicContact CG-CD1 3.9Å; L153-I155 HydrophobicContact CG-CG1 4.34Å
156	Q	98.6	Very high	98.7	Very high	41 Å²	41	46.3 Å²	46.3	19%	0.192	24%	0.244	C	C	.	.	S	Bend	trans	-170.9	169.2	-179.8	63.8	-168.2	79.5	0	0	109.8	D129 R154 A158 Q160 T161 E164	D129-Q156 PolarHBondContact O-N 2.75Å; D129-Q156 VanDerWaalsContact O-O 3.13Å; R154-Q156 PolarHBondContact O-N 2.83Å; Q156-A158 PolarHBondContact O-N 3.4Å; Q156-Q160 VanDerWaalsContact NE2-CD 3.32Å; Q156-T161 VanDerWaalsContact CD-OG1 3.26Å; Q156-T161 WeakPolarHBondContact CG-OG1 3.4Å; Q156-T161 PolarHBondContact NE2-OG1 2.91Å; Q156-E164 PolarHBondContact NE2-OE1 2.76Å; Q156-E164 PolarHBondContact NE2-OE2 2.75Å; Q156-E164 VanDerWaalsContact NE2-OE2 3.13Å
157	P	98.6	Very high	98.7	Very high	78 Å²	78	49.2 Å²	49.2	51%	0.506	26%	0.257	S	S	.	.			trans	-54.5	126.6	172.5	-26.1	36.1	0	0	0	111.6	L159 Q160 T161	P157-L159 VanDerWaalsContact C-N 3.26Å; P157-L159 PolarHBondContact O-N 3.41Å; P157-L159 VanDerWaalsContact O-N 3.16Å; P157-Q160 VanDerWaalsContact O-CB 3.27Å; P157-Q160 WeakPolarHBondContact O-CB 3.42Å; P157-Q160 PolarHBondContact O-N 2.96Å; P157-T161 PolarHBondContact O-N 3.23Å
158	A	98.6	Very high	98.7	Very high	8 Å²	8	52.4 Å²	52.4	7%	0.066	28%	0.279	C	S	.	.	H	α-helix	trans	-57	-38.3	-172.5	0	0	0	0	0	113	I104 C128 Q156 Q160 T161 L162 Y189	I104-A158 HydrophobicContact CG2-CB 3.69Å; C128-A158 HydrophobicContact CB-CB 3.95Å; Q156-A158 PolarHBondContact O-N 3.4Å; A158-Q160 PolarHBondContact O-N 3.48Å; A158-T161 WeakPolarHBondContact O-CB 3.39Å; A158-T161 PolarHBondContact O-N 3.09Å; A158-L162 WeakPolarHBondContact O-CG 3.15Å; A158-L162 PolarHBondContact O-N 2.94Å; A158-Y189 HydrophobicContact CB-CE1 3.8Å
159	L	98.8	Very high	98.7	Very high	42 Å²	42	50.9 Å²	50.9	22%	0.22	29%	0.287	C	S	.	.	H	α-helix	trans	-56.3	-37.2	176.8	-69.3	179.9	0	0	0	112.5	P157 L162 D163 N188 Y189 K192	P157-L159 VanDerWaalsContact C-N 3.26Å; P157-L159 PolarHBondContact O-N 3.41Å; P157-L159 VanDerWaalsContact O-N 3.16Å; L159-L162 PolarHBondContact O-N 3.11Å; L159-D163 PolarHBondContact O-N 3.17Å; L159-N188 HydrophobicContact CD1-CB 4.3Å; L159-N188 HydrophobicContact CD2-CB 3.71Å; L159-Y189 HydrophobicContact CD2-CD1 3.5Å; L159-Y189 VanDerWaalsContact CD2-CD1 3.5Å; L159-Y189 HydrophobicContact CD2-CE1 3.47Å; L159-Y189 VanDerWaalsContact CD2-CE1 3.47Å; L159-Y189 HydrophobicContact CG-CD1 4.17Å; L159-Y189 HydrophobicContact CG-CE1 3.6Å; L159-K192 HydrophobicContact CD2-CD 4.01Å
160	Q	98.8	Very high	98.7	Very high	93 Å²	93	47.7 Å²	47.7	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-64.6	-45.5	176.3	-170.9	-170.9	-21.6	0	0	110.8	Q156 P157 A158 L162 D163 E164	Q156-Q160 VanDerWaalsContact NE2-CD 3.32Å; P157-Q160 VanDerWaalsContact O-CB 3.27Å; P157-Q160 WeakPolarHBondContact O-CB 3.42Å; P157-Q160 PolarHBondContact O-N 2.96Å; A158-Q160 PolarHBondContact O-N 3.48Å; Q160-L162 VanDerWaalsContact C-N 3.32Å; Q160-L162 PolarHBondContact O-N 3.04Å; Q160-D163 PolarHBondContact O-N 3.16Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.3Å; Q160-E164 PolarHBondContact NE2-OE1 2.98Å; Q160-E164 WeakPolarHBondContact O-CG 3.43Å; Q160-E164 PolarHBondContact O-N 3.22Å
161	T	98.8	Very high	98.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-41.1	175.3	-57.9	0	0	0	0	111.8	V126 C128 R154 Q156 P157 A158 D163 E164 L165	V126-T161 HydrophobicContact CG1-CG2 4.36Å; C128-T161 VanDerWaalsContact SG-CG2 3.57Å; R154-T161 HydrophobicContact CB-CG2 4.12Å; R154-T161 HydrophobicContact CG-CG2 3.88Å; Q156-T161 VanDerWaalsContact CD-OG1 3.26Å; Q156-T161 WeakPolarHBondContact CG-OG1 3.4Å; Q156-T161 PolarHBondContact NE2-OG1 2.91Å; P157-T161 PolarHBondContact O-N 3.23Å; A158-T161 WeakPolarHBondContact O-CB 3.39Å; A158-T161 PolarHBondContact O-N 3.09Å; T161-D163 VanDerWaalsContact C-N 3.33Å; T161-D163 PolarHBondContact O-N 2.79Å; T161-E164 PolarHBondContact O-N 3.22Å; T161-L165 HydrophobicContact CG2-CD1 4.12Å; T161-L165 HydrophobicContact CG2-CG 4.4Å; T161-L165 WeakPolarHBondContact O-CB 3.32Å; T161-L165 VanDerWaalsContact O-CG 3.25Å; T161-L165 WeakPolarHBondContact O-CG 3.16Å; T161-L165 PolarHBondContact O-N 3.27Å
162	L	98.9	Very high	98.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-39.7	177.2	-58.4	-174.6	0	0	0	111.9	L102 I104 A158 L159 Q160 L165 L166 Y189 K192 L196	L102-L162 HydrophobicContact CD1-CD2 4.17Å; L102-L162 HydrophobicContact CD2-CD2 3.47Å; L102-L162 VanDerWaalsContact CD2-CD2 3.47Å; L102-L162 HydrophobicContact CG-CD2 4.36Å; I104-L162 HydrophobicContact CD1-CD1 3.85Å; I104-L162 HydrophobicContact CD1-CD2 4.05Å; I104-L162 HydrophobicContact CD1-CG 4.48Å; I104-L162 HydrophobicContact CG1-CD2 4.37Å; A158-L162 WeakPolarHBondContact O-CG 3.15Å; A158-L162 PolarHBondContact O-N 2.94Å; L159-L162 PolarHBondContact O-N 3.11Å; Q160-L162 VanDerWaalsContact C-N 3.32Å; Q160-L162 PolarHBondContact O-N 3.04Å; L162-L165 HydrophobicContact CD2-CD1 4.43Å; L162-L165 PolarHBondContact O-N 3.34Å; L162-L166 WeakPolarHBondContact O-CG 3.1Å; L162-L166 PolarHBondContact O-N 2.6Å; L162-Y189 HydrophobicContact CD1-CD1 3.93Å; L162-K192 HydrophobicContact CB-CB 4.06Å; L162-K192 HydrophobicContact CB-CD 3.69Å; L162-K192 HydrophobicContact CD1-CB 3.75Å; L162-K192 HydrophobicContact CD1-CD 4.05Å; L162-L196 HydrophobicContact CB-CD1 4.35Å; L162-L196 HydrophobicContact CD2-CD1 3.8Å
163	D	98.8	Very high	98.7	Very high	67 Å²	67	52.9 Å²	52.9	36%	0.358	31%	0.307	S	S	.	.	H	α-helix	trans	-66.7	-40.6	175.6	-77.2	-34.4	0	0	0	112.6	L159 Q160 T161 L166 S167 K192	L159-D163 PolarHBondContact O-N 3.17Å; Q160-D163 PolarHBondContact O-N 3.16Å; T161-D163 VanDerWaalsContact C-N 3.33Å; T161-D163 PolarHBondContact O-N 2.79Å; D163-L166 PolarHBondContact O-N 3.41Å; D163-S167 VanDerWaalsContact O-CB 3.27Å; D163-S167 WeakPolarHBondContact O-CB 3.17Å; D163-S167 PolarHBondContact O-N 3.16Å; D163-S167 PolarHBondContact O-OG 3.43Å; D163-K192 VanDerWaalsContact CG-NZ 3.33Å; D163-K192 WeakPolarHBondContact OD1-CE 3.26Å; D163-K192 IonicContact OD1-NZ 2.89Å; D163-K192 PolarHBondContact OD1-NZ 3.3Å; D163-K192 IonicContact OD2-NZ 2.83Å; D163-K192 PolarHBondContact OD2-NZ 2.88Å
164	E	98.8	Very high	98.7	Very high	70 Å²	70	51.2 Å²	51.2	33%	0.327	30%	0.298	S	S	.	.	H	α-helix	trans	-63.6	-42.1	174.3	-72.4	165.1	-170.8	0	0	111.8	Q156 Q160 T161 S167 S168	Q156-E164 PolarHBondContact NE2-OE1 2.76Å; Q156-E164 PolarHBondContact NE2-OE2 2.75Å; Q156-E164 VanDerWaalsContact NE2-OE2 3.13Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.3Å; Q160-E164 PolarHBondContact NE2-OE1 2.98Å; Q160-E164 WeakPolarHBondContact O-CG 3.43Å; Q160-E164 PolarHBondContact O-N 3.22Å; T161-E164 PolarHBondContact O-N 3.22Å; E164-S167 PolarHBondContact O-N 3.25Å; E164-S168 VanDerWaalsContact O-CB 3.3Å; E164-S168 WeakPolarHBondContact O-CB 3.26Å; E164-S168 PolarHBondContact O-N 3.12Å; E164-S168 PolarHBondContact O-OG 2.91Å
165	L	98.8	Very high	98.7	Very high	9 Å²	9	49 Å²	49	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-47.4	175.2	-72.8	169.4	0	0	0	111.1	L102 V126 T161 L162 S167 S168 G169 Q170 F174 L196	L102-L165 HydrophobicContact CD1-CD1 4.31Å; V126-L165 HydrophobicContact CG1-CD1 4.33Å; T161-L165 HydrophobicContact CG2-CD1 4.12Å; T161-L165 HydrophobicContact CG2-CG 4.4Å; T161-L165 WeakPolarHBondContact O-CB 3.32Å; T161-L165 VanDerWaalsContact O-CG 3.25Å; T161-L165 WeakPolarHBondContact O-CG 3.16Å; T161-L165 PolarHBondContact O-N 3.27Å; L162-L165 HydrophobicContact CD2-CD1 4.43Å; L162-L165 PolarHBondContact O-N 3.34Å; L165-S167 PolarHBondContact O-N 2.97Å; L165-S168 WeakPolarHBondContact CA-OG 3.25Å; L165-S168 PolarHBondContact O-N 2.98Å; L165-S168 PolarHBondContact O-OG 3.03Å; L165-G169 PolarHBondContact O-N 3.43Å; L165-Q170 HydrophobicContact CB-CB 4.18Å; L165-Q170 HydrophobicContact CB-CG 4.43Å; L165-Q170 HydrophobicContact CD2-CB 4.38Å; L165-Q170 HydrophobicContact CD2-CG 4.01Å; L165-Q170 WeakPolarHBondContact O-CB 3.38Å; L165-Q170 WeakPolarHBondContact O-CG 3.4Å; L165-Q170 PolarHBondContact O-N 2.93Å; L165-F174 HydrophobicContact CD1-CE2 4.08Å; L165-F174 HydrophobicContact CD1-CZ 3.8Å; L165-F174 HydrophobicContact CD2-CE2 4.32Å; L165-F174 HydrophobicContact CD2-CZ 4.06Å; L165-L196 HydrophobicContact CB-CD1 4.28Å; L165-L196 HydrophobicContact CB-CD2 3.8Å; L165-L196 HydrophobicContact CD1-CD1 4.19Å
166	L	98.8	Very high	98.7	Very high	41 Å²	41	46 Å²	46	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-45.9	177	-74	167.4	0	0	0	111.5	L162 D163 S168 G169 A171 K192 L195 L196	L162-L166 WeakPolarHBondContact O-CG 3.1Å; L162-L166 PolarHBondContact O-N 2.6Å; D163-L166 PolarHBondContact O-N 3.41Å; L166-S168 VanDerWaalsContact C-N 3.25Å; L166-S168 PolarHBondContact O-N 2.83Å; L166-G169 PolarHBondContact O-N 3.48Å; L166-G169 VanDerWaalsContact O-N 3.1Å; L166-A171 HydrophobicContact CD2-CB 4.41Å; L166-K192 HydrophobicContact CD1-CB 4.38Å; L166-K192 HydrophobicContact CD1-CG 4.33Å; L166-L195 HydrophobicContact CD1-CD1 4.17Å; L166-L195 HydrophobicContact CD2-CB 3.71Å; L166-L195 HydrophobicContact CD2-CD1 4.45Å; L166-L196 HydrophobicContact CD2-CD2 3.66Å; L166-L196 HydrophobicContact CD2-CG 3.87Å; L166-L196 HydrophobicContact CG-CD2 3.81Å; L166-L196 HydrophobicContact CG-CG 4.04Å
167	S	98.6	Very high	98.7	Very high	108 Å²	108	44.1 Å²	44.1	76%	0.755	27%	0.267	S	S	*	.	H	α-helix	trans	-66.1	-27.6	-179.1	-54.6	0	0	0	0	113	D163 E164 L165 G169	D163-S167 VanDerWaalsContact O-CB 3.27Å; D163-S167 WeakPolarHBondContact O-CB 3.17Å; D163-S167 PolarHBondContact O-N 3.16Å; D163-S167 PolarHBondContact O-OG 3.43Å; E164-S167 PolarHBondContact O-N 3.25Å; L165-S167 PolarHBondContact O-N 2.97Å; S167-G169 VanDerWaalsContact C-N 3.26Å; S167-G169 PolarHBondContact O-N 3.47Å
168	S	98.1	Very high	98.7	Very high	75 Å²	75	40.6 Å²	40.6	52%	0.524	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	16.2	175.2	58.7	0	0	0	0	113.7	E164 L165 L166 Q170	E164-S168 VanDerWaalsContact O-CB 3.3Å; E164-S168 WeakPolarHBondContact O-CB 3.26Å; E164-S168 PolarHBondContact O-N 3.12Å; E164-S168 PolarHBondContact O-OG 2.91Å; L165-S168 WeakPolarHBondContact CA-OG 3.25Å; L165-S168 PolarHBondContact O-N 2.98Å; L165-S168 PolarHBondContact O-OG 3.03Å; L166-S168 VanDerWaalsContact C-N 3.25Å; L166-S168 PolarHBondContact O-N 2.83Å; S168-Q170 PolarHBondContact O-N 3.21Å; S168-Q170 PolarHBondContact O-NE2 3.34Å
169	G	98.2	Very high	98.7	Very high	56 Å²	56	40.2 Å²	40.2	58%	0.577	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	21.9	173.6	0	0	0	0	0	114.3	L165 L166 S167 A171	L165-G169 PolarHBondContact O-N 3.43Å; L166-G169 PolarHBondContact O-N 3.48Å; L166-G169 VanDerWaalsContact O-N 3.1Å; S167-G169 VanDerWaalsContact C-N 3.26Å; S167-G169 PolarHBondContact O-N 3.47Å; G169-A171 PolarHBondContact O-N 3.35Å
170	Q	98.6	Very high	98.7	Very high	52 Å²	52	39.5 Å²	39.5	24%	0.243	24%	0.237	C	C	.	.			trans	-85.2	12.2	179.5	-55	-62.6	-59.1	0	0	113.6	L165 S168 E172 T173 F174 L196	L165-Q170 HydrophobicContact CB-CB 4.18Å; L165-Q170 HydrophobicContact CB-CG 4.43Å; L165-Q170 HydrophobicContact CD2-CB 4.38Å; L165-Q170 HydrophobicContact CD2-CG 4.01Å; L165-Q170 WeakPolarHBondContact O-CB 3.38Å; L165-Q170 WeakPolarHBondContact O-CG 3.4Å; L165-Q170 PolarHBondContact O-N 2.93Å; S168-Q170 PolarHBondContact O-N 3.21Å; S168-Q170 PolarHBondContact O-NE2 3.34Å; Q170-E172 PolarHBondContact O-N 2.83Å; Q170-T173 WeakPolarHBondContact O-CB 3.38Å; Q170-T173 WeakPolarHBondContact O-CG2 3.32Å; Q170-T173 PolarHBondContact O-N 3.32Å; Q170-T173 PolarHBondContact O-OG1 3.33Å; Q170-T173 PolarHBondContact OE1-OG1 3.05Å; Q170-F174 HydrophobicContact CB-CE2 4.23Å; Q170-L196 HydrophobicContact CB-CD2 4.13Å; Q170-L196 WeakPolarHBondContact O-CD2 3.49Å
171	A	98.7	Very high	98.7	Very high	52 Å²	52	36.2 Å²	36.2	43%	0.43	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	135	174.4	0	0	0	0	0	110.7	L166 G169 T173	L166-A171 HydrophobicContact CD2-CB 4.41Å; G169-A171 PolarHBondContact O-N 3.35Å; A171-T173 PolarHBondContact O-N 2.97Å; A171-T173 VanDerWaalsContact O-N 3.16Å
172	E	98.6	Very high	98.7	Very high	103 Å²	103	39.8 Å²	39.8	48%	0.481	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	26.4	-178.9	-49.8	-162.3	122.2	0	0	115.8	Q170 L195 L196 R198 K256	Q170-E172 PolarHBondContact O-N 2.83Å; E172-L195 PolarHBondContact N-O 2.92Å; E172-L196 CarbonylContact C-O 3.29Å; E172-L196 VanDerWaalsContact CA-O 3.23Å; E172-L196 WeakPolarHBondContact CA-O 3.48Å; E172-L196 PolarHBondContact N-O 3.33Å; E172-L196 VanDerWaalsContact N-O 3.16Å; E172-R198 WeakPolarHBondContact O-CB 3.1Å; E172-K256 WeakPolarHBondContact OE1-CE 3.29Å; E172-K256 IonicContact OE1-NZ 3.48Å; E172-K256 PolarHBondContact OE1-NZ 3.36Å
173	T	98.8	Very high	98.6	Very high	51 Å²	51	40.5 Å²	40.5	31%	0.313	25%	0.248	S	C	.	.			trans	-99.4	-15.1	178.9	66.4	0	0	0	0	114.6	Q170 A171 L196	Q170-T173 WeakPolarHBondContact O-CB 3.38Å; Q170-T173 WeakPolarHBondContact O-CG2 3.32Å; Q170-T173 PolarHBondContact O-N 3.32Å; Q170-T173 PolarHBondContact O-OG1 3.33Å; Q170-T173 PolarHBondContact OE1-OG1 3.05Å; A171-T173 PolarHBondContact O-N 2.97Å; A171-T173 VanDerWaalsContact O-N 3.16Å; T173-L196 PolarHBondContact N-O 3.41Å
174	F	98.9	Very high	98.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	139	-178.4	-71.1	-95.1	0	0	0	111.4	K100 L102 V126 L165 Q170 V177 L196 L197 R198	K100-F174 HydrophobicContact CB-CD1 4.49Å; K100-F174 HydrophobicContact CD-CD1 4.09Å; K100-F174 HydrophobicContact CD-CE1 4.06Å; K100-F174 HydrophobicContact CD-CG 4.38Å; K100-F174 HydrophobicContact CD-CZ 4.33Å; K100-F174 HydrophobicContact CG-CD1 3.73Å; K100-F174 HydrophobicContact CG-CE1 3.84Å; K100-F174 HydrophobicContact CG-CG 4.38Å; L102-F174 HydrophobicContact CB-CD1 3.61Å; L102-F174 HydrophobicContact CB-CE1 3.66Å; L102-F174 HydrophobicContact CB-CG 4.37Å; L102-F174 HydrophobicContact CB-CZ 4.46Å; V126-F174 HydrophobicContact CB-CE1 4.11Å; V126-F174 HydrophobicContact CB-CZ 4.34Å; V126-F174 HydrophobicContact CG2-CE1 3.85Å; V126-F174 HydrophobicContact CG2-CZ 3.91Å; L165-F174 HydrophobicContact CD1-CE2 4.08Å; L165-F174 HydrophobicContact CD1-CZ 3.8Å; L165-F174 HydrophobicContact CD2-CE2 4.32Å; L165-F174 HydrophobicContact CD2-CZ 4.06Å; Q170-F174 HydrophobicContact CB-CE2 4.23Å; F174-V177 HydrophobicContact CB-CG2 4.36Å; F174-L196 HydrophobicContact CD2-CB 3.86Å; F174-L196 HydrophobicContact CD2-CD2 4.3Å; F174-L196 HydrophobicContact CE2-CB 4.41Å; F174-L196 HydrophobicContact CE2-CD2 4.13Å; F174-L196 PolarHBondContact N-O 3.33Å; F174-L197 CarbonylContact O-C 3.49Å; F174-L197 WeakPolarHBondContact O-CA 3.47Å; F174-L197 WeakPolarHBondContact O-CD1 3.36Å; F174-R198 WeakPolarHBondContact O-CG 3.49Å; F174-R198 PolarHBondContact O-N 3.2Å
175	D	98.9	Very high	98.6	Very high	20 Å²	20	39.9 Å²	39.9	11%	0.107	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-33.8	178.3	-58.3	-66.7	0	0	0	112.2	I96 A98 K99 K100 R198 G201 I202	I96-D175 HydrophobicContact CD1-CB 4.4Å; I96-D175 VanDerWaalsContact CD1-O 3.27Å; I96-D175 WeakPolarHBondContact CD1-O 3.44Å; A98-D175 HydrophobicContact CB-CB 3.61Å; K99-D175 PolarHBondContact N-OD2 3.46Å; K100-D175 PolarHBondContact N-OD2 2.8Å; K100-D175 PolarHBondContact O-N 2.79Å; D175-R198 WeakPolarHBondContact OD1-CD 3.33Å; D175-R198 IonicContact OD1-CZ 3.56Å; D175-R198 IonicContact OD1-NE 3.39Å; D175-R198 PolarHBondContact OD1-NE 3.08Å; D175-R198 IonicContact OD1-NH2 3.57Å; D175-G201 CarbonylContact O-C 3.59Å; D175-G201 WeakPolarHBondContact O-CA 3.33Å; D175-I202 PolarHBondContact O-N 3Å
176	F	98.9	Very high	98.6	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	134	-174.9	-160.6	-80.2	0	0	0	110.2	M89 L92 A93 I96 K100 A101 L102 M115 F178 I202 A204	M89-F176 HydrophobicContact CB-CZ 4.08Å; M89-F176 HydrophobicContact CG-CZ 4.23Å; M89-F176 HydrophobicContact SD-CE1 4.49Å; M89-F176 HydrophobicContact SD-CZ 4.46Å; L92-F176 HydrophobicContact CB-CE2 4.04Å; A93-F176 HydrophobicContact CB-CD2 4.34Å; I96-F176 HydrophobicContact CD1-CD2 4.16Å; K100-F176 PolarHBondContact O-N 2.87Å; A101-F176 CarbonylContact C-O 3.57Å; A101-F176 WeakPolarHBondContact CA-O 3.26Å; A101-F176 HydrophobicContact CB-CB 4.36Å; L102-F176 PolarHBondContact N-O 3.13Å; M115-F176 HydrophobicContact CE-CD1 3.99Å; M115-F176 HydrophobicContact CE-CE1 4.08Å; M115-F176 HydrophobicContact CE-CG 4.43Å; F176-F178 HydrophobicContact CE1-CB 4.4Å; F176-I202 CarbonylContact C-O 3.57Å; F176-I202 WeakPolarHBondContact CA-O 3.47Å; F176-I202 HydrophobicContact CD2-CB 3.85Å; F176-I202 HydrophobicContact CD2-CD1 4.38Å; F176-I202 HydrophobicContact CD2-CG2 4.34Å; F176-I202 HydrophobicContact CE2-CB 3.88Å; F176-I202 HydrophobicContact CE2-CD1 4.17Å; F176-I202 HydrophobicContact CE2-CG2 3.88Å; F176-I202 HydrophobicContact CZ-CG2 4.35Å; F176-A204 HydrophobicContact CE1-CB 3.85Å; F176-A204 HydrophobicContact CZ-CB 3.73Å
177	V	98.9	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132	174.1	-176.1	0	0	0	0	109.1	L102 I104 F174 I179 S193 L197 I202 V203 A204	L102-V177 HydrophobicContact CB-CB 4.44Å; L102-V177 HydrophobicContact CB-CG1 4.12Å; L102-V177 HydrophobicContact CB-CG2 4.08Å; L102-V177 HydrophobicContact CD2-CG1 3.82Å; L102-V177 HydrophobicContact CD2-CG2 4.15Å; L102-V177 HydrophobicContact CG-CG1 4.02Å; L102-V177 CarbonylContact O-C 3.48Å; L102-V177 VanDerWaalsContact O-CA 3.29Å; L102-V177 WeakPolarHBondContact O-CA 3.48Å; I104-V177 HydrophobicContact CD1-CG1 4.23Å; F174-V177 HydrophobicContact CB-CG2 4.36Å; V177-I179 HydrophobicContact CG1-CG1 4.26Å; V177-S193 WeakPolarHBondContact CG1-OG 3.31Å; V177-L197 HydrophobicContact CG2-CD1 3.7Å; V177-I202 PolarHBondContact N-O 3.01Å; V177-V203 HydrophobicContact CB-CG1 4.37Å; V177-V203 HydrophobicContact CB-CG2 4.39Å; V177-V203 CarbonylContact O-C 3.39Å; V177-V203 WeakPolarHBondContact O-CA 3.37Å; V177-A204 PolarHBondContact O-N 3.37Å
178	F	98.9	Very high	98.6	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128	172.8	-177.7	-122	0	0	0	110.3	V81 M89 L102 E103 I104 N111 F176 D180 A204 D206 L251	V81-F178 HydrophobicContact CG2-CZ 4.43Å; M89-F178 HydrophobicContact CE-CD2 3.98Å; M89-F178 HydrophobicContact CE-CE1 4.4Å; M89-F178 HydrophobicContact CE-CE2 3.75Å; M89-F178 HydrophobicContact CE-CG 4.4Å; M89-F178 HydrophobicContact CE-CZ 3.98Å; M89-F178 HydrophobicContact SD-CD2 3.48Å; M89-F178 WeakPolarHBondContact SD-CD2 3.44Å; M89-F178 HydrophobicContact SD-CE2 3.59Å; M89-F178 VanDerWaalsContact SD-CE2 3.59Å; M89-F178 HydrophobicContact SD-CG 4.24Å; M89-F178 HydrophobicContact SD-CZ 4.41Å; L102-F178 PolarHBondContact O-N 2.92Å; E103-F178 HydrophobicContact CG-CD1 4.18Å; I104-F178 PolarHBondContact N-O 3.13Å; N111-F178 HydrophobicContact CB-CD1 4.5Å; N111-F178 HydrophobicContact CB-CE1 4.39Å; N111-F178 VanDerWaalsContact ND2-CD1 3.32Å; N111-F178 WeakPolarHBondContact ND2-CD1 3.37Å; F176-F178 HydrophobicContact CE1-CB 4.4Å; F178-D180 HydrophobicContact CD1-CB 4.36Å; F178-D180 HydrophobicContact CE1-CB 3.57Å; F178-D180 HydrophobicContact CZ-CB 3.66Å; F178-A204 CarbonylContact C-O 3.58Å; F178-A204 WeakPolarHBondContact CA-O 3.42Å; F178-A204 HydrophobicContact CD2-CB 4.01Å; F178-A204 WeakPolarHBondContact CD2-O 3.47Å; F178-D206 HydrophobicContact CE2-CB 3.77Å; F178-D206 HydrophobicContact CZ-CB 3.74Å; F178-L251 HydrophobicContact CE2-CD1 4.34Å
179	I	98.9	Very high	98.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	109.9	-179.8	-55.8	177.6	0	0	0	109.1	I104 V177 Y186 Y189 V203 A204 I205 D206	I104-I179 HydrophobicContact CD1-CG1 4.1Å; V177-I179 HydrophobicContact CG1-CG1 4.26Å; I179-Y186 HydrophobicContact CG2-CD1 3.83Å; I179-Y186 HydrophobicContact CG2-CE1 3.75Å; I179-Y186 HydrophobicContact CG2-CE2 4.49Å; I179-Y186 HydrophobicContact CG2-CG 4.22Å; I179-Y186 PolarHBondContact O-OH 2.77Å; I179-Y189 HydrophobicContact CG2-CD2 3.98Å; I179-Y189 HydrophobicContact CG2-CG 4.39Å; I179-V203 HydrophobicContact CD1-CG1 3.68Å; I179-V203 HydrophobicContact CG1-CG1 4.17Å; I179-A204 PolarHBondContact N-O 3.33Å; I179-I205 HydrophobicContact CB-CG1 4.5Å; I179-I205 HydrophobicContact CB-CG2 4.37Å; I179-I205 HydrophobicContact CD1-CG1 4.23Å; I179-D206 PolarHBondContact O-N 3.31Å
180	D	98.4	Very high	98.7	Very high	27 Å²	27	32.9 Å²	32.9	14%	0.144	19%	0.185	C	C	.	.			trans	-146.3	59.1	174.3	-169.6	17.7	0	0	0	113	I104 F178 K183 Y186 D206 N207	I104-D180 CarbonylContact O-C 3.36Å; I104-D180 VanDerWaalsContact O-C 3.25Å; I104-D180 WeakPolarHBondContact O-CA 3.41Å; I104-D180 PolarHBondContact O-N 3.48Å; F178-D180 HydrophobicContact CD1-CB 4.36Å; F178-D180 HydrophobicContact CE1-CB 3.57Å; F178-D180 HydrophobicContact CZ-CB 3.66Å; D180-K183 IonicContact OD1-NZ 3.32Å; D180-K183 PolarHBondContact OD1-NZ 3.37Å; D180-Y186 WeakPolarHBondContact CA-OH 3.47Å; D180-D206 HydrophobicContact CB-CB 3.94Å; D180-N207 PolarHBondContact OD1-OD1 3.27Å; D180-N207 VanDerWaalsContact OD1-OD1 3.05Å
181	A	98.1	Very high	98.7	Very high	25 Å²	25	32.9 Å²	32.9	21%	0.207	19%	0.185	C	C	.	.	S	Bend	trans	-117.8	-145.8	178.7	0	0	0	0	0	112.5	I104 K183 Y189	I104-A181 HydrophobicContact CG2-CB 3.81Å; I104-A181 PolarHBondContact O-N 3.46Å; A181-K183 WeakPolarHBondContact O-CD 3.29Å; A181-K183 WeakPolarHBondContact O-CE 3.33Å; A181-K183 PolarHBondContact O-NZ 2.94Å; A181-Y189 HydrophobicContact CB-CE2 3.96Å
182	D	98.1	Very high	98.7	Very high	75 Å²	75	32.7 Å²	32.7	40%	0.401	17%	0.174	S	C	.	.			trans	-70.5	132.2	175	60.9	-74.2	0	0	0	111.9	V184 N185 Y186 Y189	D182-V184 PolarHBondContact O-N 3.09Å; D182-N185 PolarHBondContact O-N 2.8Å; D182-N185 WeakPolarHBondContact OD2-CB 3.46Å; D182-N185 PolarHBondContact OD2-ND2 2.79Å; D182-Y186 VanDerWaalsContact O-CD1 3.29Å; D182-Y186 WeakPolarHBondContact O-CD1 3.43Å; D182-Y189 PolarHBondContact OD1-OH 2.93Å
183	K	98.3	Very high	98.7	Very high	15 Å²	15	27.8 Å²	27.8	7%	0.065	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-76.3	-29.9	-162.1	-48	-53.4	-179.1	-148.6	0	112.8	D180 A181 N185 Y186 N207 W210 D223 A226 I227	D180-K183 IonicContact OD1-NZ 3.32Å; D180-K183 PolarHBondContact OD1-NZ 3.37Å; A181-K183 WeakPolarHBondContact O-CD 3.29Å; A181-K183 WeakPolarHBondContact O-CE 3.33Å; A181-K183 PolarHBondContact O-NZ 2.94Å; K183-N185 PolarHBondContact O-N 2.97Å; K183-Y186 HydrophobicContact CD-CD1 4.23Å; K183-Y186 HydrophobicContact CD-CE1 3.55Å; K183-Y186 HydrophobicContact CD-CE2 3.87Å; K183-Y186 WeakPolarHBondContact CD-OH 3.28Å; K183-Y186 PolarHBondContact NZ-OH 2.68Å; K183-Y186 WeakPolarHBondContact O-CB 3.5Å; K183-Y186 PolarHBondContact O-N 3.18Å; K183-Y186 VanDerWaalsContact O-N 3.09Å; K183-N207 WeakPolarHBondContact CE-OD1 3.33Å; K183-N207 PolarHBondContact NZ-OD1 2.69Å; K183-W210 HydrophobicContact CD-CH2 4.03Å; K183-W210 HydrophobicContact CD-CZ3 4.01Å; K183-W210 HydrophobicContact CG-CH2 3.63Å; K183-W210 HydrophobicContact CG-CZ2 3.85Å; K183-W210 HydrophobicContact CG-CZ3 4.06Å; K183-D223 HydrophobicContact CB-CB 3.85Å; K183-D223 HydrophobicContact CG-CB 4.09Å; K183-A226 WeakPolarHBondContact O-CB 3.3Å; K183-I227 HydrophobicContact CB-CD1 3.96Å; K183-I227 HydrophobicContact CB-CG1 3.99Å; K183-I227 HydrophobicContact CD-CD1 4.13Å; K183-I227 HydrophobicContact CG-CD1 3.86Å; K183-I227 HydrophobicContact CG-CG1 4.41Å
184	V	98.4	Very high	98.7	Very high	81 Å²	81	25.8 Å²	25.8	49%	0.491	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-57.3	-33.1	176	179.5	0	0	0	0	112	D182 A222	D182-V184 PolarHBondContact O-N 3.09Å; V184-A222 HydrophobicContact CG2-CB 4.03Å
185	N	98.7	Very high	98.7	Very high	42 Å²	42	30.4 Å²	30.4	23%	0.225	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-91.9	0.8	179.4	-79.2	-54	0	0	0	114.9	D182 K183 D187 N188 Y189	D182-N185 PolarHBondContact O-N 2.8Å; D182-N185 WeakPolarHBondContact OD2-CB 3.46Å; D182-N185 PolarHBondContact OD2-ND2 2.79Å; K183-N185 PolarHBondContact O-N 2.97Å; N185-D187 PolarHBondContact O-N 2.74Å; N185-D187 VanDerWaalsContact O-N 3.11Å; N185-N188 WeakPolarHBondContact O-CA 3.45Å; N185-N188 WeakPolarHBondContact O-CB 3.4Å; N185-N188 PolarHBondContact O-N 3.17Å; N185-N188 PolarHBondContact OD1-ND2 3.03Å; N185-Y189 HydrophobicContact CB-CD2 4.05Å; N185-Y189 HydrophobicContact CB-CE1 4.17Å; N185-Y189 HydrophobicContact CB-CE2 3.41Å; N185-Y189 VanDerWaalsContact CB-CE2 3.41Å; N185-Y189 VanDerWaalsContact CB-CZ 3.46Å; N185-Y189 WeakPolarHBondContact O-CD2 3.48Å; N185-Y189 PolarHBondContact O-N 3.49Å
186	Y	98.8	Very high	98.7	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-54.9	-36.5	-176.6	-89.3	23.5	0	0	0	113.9	I179 D180 D182 K183 Y189 Y190 I205 D206 L230	I179-Y186 HydrophobicContact CG2-CD1 3.83Å; I179-Y186 HydrophobicContact CG2-CE1 3.75Å; I179-Y186 HydrophobicContact CG2-CE2 4.49Å; I179-Y186 HydrophobicContact CG2-CG 4.22Å; I179-Y186 PolarHBondContact O-OH 2.77Å; D180-Y186 WeakPolarHBondContact CA-OH 3.47Å; D182-Y186 VanDerWaalsContact O-CD1 3.29Å; D182-Y186 WeakPolarHBondContact O-CD1 3.43Å; K183-Y186 HydrophobicContact CD-CD1 4.23Å; K183-Y186 HydrophobicContact CD-CE1 3.55Å; K183-Y186 HydrophobicContact CD-CE2 3.87Å; K183-Y186 WeakPolarHBondContact CD-OH 3.28Å; K183-Y186 PolarHBondContact NZ-OH 2.68Å; K183-Y186 WeakPolarHBondContact O-CB 3.5Å; K183-Y186 PolarHBondContact O-N 3.18Å; K183-Y186 VanDerWaalsContact O-N 3.09Å; Y186-Y189 HydrophobicContact CD1-CD2 4.04Å; Y186-Y189 HydrophobicContact CD1-CE2 4.46Å; Y186-Y189 PolarHBondContact O-N 2.89Å; Y186-Y190 WeakPolarHBondContact O-CB 3.44Å; Y186-Y190 PolarHBondContact O-N 3.18Å; Y186-I205 HydrophobicContact CD2-CG2 3.71Å; Y186-I205 HydrophobicContact CE2-CG2 3.63Å; Y186-D206 WeakPolarHBondContact CE2-O 3.25Å; Y186-D206 PolarHBondContact OH-O 2.58Å; Y186-L230 HydrophobicContact CD2-CD2 3.81Å; Y186-L230 HydrophobicContact CG-CD2 4.29Å
187	D	98.8	Very high	98.7	Very high	59 Å²	59	29.4 Å²	29.4	32%	0.316	16%	0.158	S	C	.	.	H	α-helix	trans	-64.8	-42.2	176.6	-162.6	54.1	0	0	0	112.2	N185 Y190 E191 L230 K233	N185-D187 PolarHBondContact O-N 2.74Å; N185-D187 VanDerWaalsContact O-N 3.11Å; D187-Y190 PolarHBondContact O-N 3.18Å; D187-E191 WeakPolarHBondContact O-CG 3.39Å; D187-E191 PolarHBondContact O-N 3.35Å; D187-L230 HydrophobicContact CB-CD1 4.48Å; D187-K233 WeakPolarHBondContact OD1-CD 3.44Å; D187-K233 WeakPolarHBondContact OD1-CE 3.41Å; D187-K233 IonicContact OD1-NZ 3.81Å; D187-K233 PolarHBondContact OD1-NZ 3.39Å; D187-K233 IonicContact OD2-NZ 3.89Å; D187-K233 PolarHBondContact OD2-NZ 2.92Å
188	N	98.9	Very high	98.7	Very high	75 Å²	75	32.6 Å²	32.6	40%	0.401	17%	0.17	S	C	.	.	H	α-helix	trans	-66.2	-40.7	177.1	-63.3	-38.5	0	0	0	111.2	L159 N185 K192	L159-N188 HydrophobicContact CD1-CB 4.3Å; L159-N188 HydrophobicContact CD2-CB 3.71Å; N185-N188 WeakPolarHBondContact O-CA 3.45Å; N185-N188 WeakPolarHBondContact O-CB 3.4Å; N185-N188 PolarHBondContact O-N 3.17Å; N185-N188 PolarHBondContact OD1-ND2 3.03Å; N188-K192 WeakPolarHBondContact O-CG 3.3Å; N188-K192 PolarHBondContact O-N 2.91Å
189	Y	98.9	Very high	98.7	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.027	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-52.5	173.5	-61.6	-39.4	0	0	0	110.5	I104 A158 L159 L162 I179 A181 D182 N185 Y186 E191 K192 S193	I104-Y189 HydrophobicContact CD1-CD1 4.41Å; I104-Y189 HydrophobicContact CD1-CG 4.41Å; I104-Y189 HydrophobicContact CG2-CD1 4.06Å; I104-Y189 HydrophobicContact CG2-CD2 4.05Å; I104-Y189 HydrophobicContact CG2-CE1 4.1Å; I104-Y189 HydrophobicContact CG2-CE2 4.12Å; I104-Y189 HydrophobicContact CG2-CG 4.06Å; A158-Y189 HydrophobicContact CB-CE1 3.8Å; L159-Y189 HydrophobicContact CD2-CD1 3.5Å; L159-Y189 VanDerWaalsContact CD2-CD1 3.5Å; L159-Y189 HydrophobicContact CD2-CE1 3.47Å; L159-Y189 VanDerWaalsContact CD2-CE1 3.47Å; L159-Y189 HydrophobicContact CG-CD1 4.17Å; L159-Y189 HydrophobicContact CG-CE1 3.6Å; L162-Y189 HydrophobicContact CD1-CD1 3.93Å; I179-Y189 HydrophobicContact CG2-CD2 3.98Å; I179-Y189 HydrophobicContact CG2-CG 4.39Å; A181-Y189 HydrophobicContact CB-CE2 3.96Å; D182-Y189 PolarHBondContact OD1-OH 2.93Å; N185-Y189 HydrophobicContact CB-CD2 4.05Å; N185-Y189 HydrophobicContact CB-CE1 4.17Å; N185-Y189 HydrophobicContact CB-CE2 3.41Å; N185-Y189 VanDerWaalsContact CB-CE2 3.41Å; N185-Y189 VanDerWaalsContact CB-CZ 3.46Å; N185-Y189 WeakPolarHBondContact O-CD2 3.48Å; N185-Y189 PolarHBondContact O-N 3.49Å; Y186-Y189 HydrophobicContact CD1-CD2 4.04Å; Y186-Y189 HydrophobicContact CD1-CE2 4.46Å; Y186-Y189 PolarHBondContact O-N 2.89Å; Y189-E191 PolarHBondContact O-N 2.83Å; Y189-K192 PolarHBondContact O-N 3.37Å; Y189-S193 VanDerWaalsContact O-CB 3.24Å; Y189-S193 WeakPolarHBondContact O-CB 3.49Å; Y189-S193 PolarHBondContact O-N 3.16Å; Y189-S193 PolarHBondContact O-OG 3Å
190	Y	98.9	Very high	98.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-54.4	-48.1	179.8	172.1	-107.7	0	0	0	112.6	Y186 D187 K192 S193 L194 V203 I205 L230 L234 D237 V240 A254	Y186-Y190 WeakPolarHBondContact O-CB 3.44Å; Y186-Y190 PolarHBondContact O-N 3.18Å; D187-Y190 PolarHBondContact O-N 3.18Å; Y190-K192 PolarHBondContact O-N 3.02Å; Y190-S193 PolarHBondContact O-N 2.96Å; Y190-L194 WeakPolarHBondContact O-CB 3.44Å; Y190-L194 PolarHBondContact O-N 3.23Å; Y190-V203 HydrophobicContact CD2-CG1 4.38Å; Y190-I205 HydrophobicContact CD2-CD1 4.03Å; Y190-L230 HydrophobicContact CD1-CD1 4.5Å; Y190-L230 HydrophobicContact CG-CD1 4.44Å; Y190-L234 HydrophobicContact CD1-CD2 3.93Å; Y190-L234 HydrophobicContact CD2-CD2 3.82Å; Y190-L234 HydrophobicContact CE1-CD2 3.53Å; Y190-L234 HydrophobicContact CE2-CD2 3.41Å; Y190-L234 VanDerWaalsContact CE2-CD2 3.41Å; Y190-L234 HydrophobicContact CG-CD2 4.06Å; Y190-D237 WeakPolarHBondContact CE1-OD2 3.34Å; Y190-D237 PolarHBondContact OH-OD2 3.28Å; Y190-D237 VanDerWaalsContact OH-OD2 3.07Å; Y190-V240 WeakPolarHBondContact OH-CG1 3.28Å; Y190-A254 HydrophobicContact CE2-CB 4.23Å
191	E	98.9	Very high	98.7	Very high	53 Å²	53	38.8 Å²	38.8	25%	0.248	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-46.7	179.7	-72.6	-58.7	147.2	0	0	112.3	D187 Y189 L194 L195 K233 R239	D187-E191 WeakPolarHBondContact O-CG 3.39Å; D187-E191 PolarHBondContact O-N 3.35Å; Y189-E191 PolarHBondContact O-N 2.83Å; E191-L194 PolarHBondContact O-N 2.76Å; E191-L195 WeakPolarHBondContact O-CG 3.48Å; E191-L195 PolarHBondContact O-N 3.16Å; E191-K233 WeakPolarHBondContact OE1-CE 3.49Å; E191-K233 IonicContact OE1-NZ 2.76Å; E191-K233 PolarHBondContact OE1-NZ 2.85Å; E191-R239 IonicContact OE1-CZ 2.85Å; E191-R239 IonicContact OE1-NH1 3.16Å; E191-R239 IonicContact OE1-NH2 3.94Å; E191-R239 PolarHBondContact OE1-NH2 2.56Å; E191-R239 IonicContact OE2-CZ 3.88Å; E191-R239 IonicContact OE2-NH1 2.73Å; E191-R239 PolarHBondContact OE2-NH1 2.82Å; E191-R239 IonicContact OE2-NH2 2.68Å; E191-R239 PolarHBondContact OE2-NH2 3.01Å; E191-R239 VanDerWaalsContact OE2-NH2 3.16Å
192	K	98.9	Very high	98.8	Very high	47 Å²	47	38 Å²	38	20%	0.204	20%	0.196	C	C	.	.	H	α-helix	trans	-68.7	-38.3	178.3	-68.1	-176.7	-169.8	-67.3	0	111.9	L159 L162 D163 L166 N188 Y189 Y190 L194 L195 L196	L159-K192 HydrophobicContact CD2-CD 4.01Å; L162-K192 HydrophobicContact CB-CB 4.06Å; L162-K192 HydrophobicContact CB-CD 3.69Å; L162-K192 HydrophobicContact CD1-CB 3.75Å; L162-K192 HydrophobicContact CD1-CD 4.05Å; D163-K192 VanDerWaalsContact CG-NZ 3.33Å; D163-K192 WeakPolarHBondContact OD1-CE 3.26Å; D163-K192 IonicContact OD1-NZ 2.89Å; D163-K192 PolarHBondContact OD1-NZ 3.3Å; D163-K192 IonicContact OD2-NZ 2.83Å; D163-K192 PolarHBondContact OD2-NZ 2.88Å; L166-K192 HydrophobicContact CD1-CB 4.38Å; L166-K192 HydrophobicContact CD1-CG 4.33Å; N188-K192 WeakPolarHBondContact O-CG 3.3Å; N188-K192 PolarHBondContact O-N 2.91Å; Y189-K192 PolarHBondContact O-N 3.37Å; Y190-K192 PolarHBondContact O-N 3.02Å; K192-L194 VanDerWaalsContact C-N 3.3Å; K192-L194 PolarHBondContact O-N 3.26Å; K192-L195 WeakPolarHBondContact O-CB 3.14Å; K192-L195 PolarHBondContact O-N 3.22Å; K192-L196 WeakPolarHBondContact O-CG 3.4Å; K192-L196 PolarHBondContact O-N 3.13Å
193	S	98.9	Very high	98.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-41.9	174.3	-63	0	0	0	0	111.1	V177 Y189 Y190 L195 L196 L197	V177-S193 WeakPolarHBondContact CG1-OG 3.31Å; Y189-S193 VanDerWaalsContact O-CB 3.24Å; Y189-S193 WeakPolarHBondContact O-CB 3.49Å; Y189-S193 PolarHBondContact O-N 3.16Å; Y189-S193 PolarHBondContact O-OG 3Å; Y190-S193 PolarHBondContact O-N 2.96Å; S193-L195 VanDerWaalsContact C-N 3.28Å; S193-L195 PolarHBondContact O-N 3.4Å; S193-L196 PolarHBondContact O-N 2.93Å; S193-L196 VanDerWaalsContact O-N 3.16Å; S193-L197 WeakPolarHBondContact O-CB 3.41Å; S193-L197 PolarHBondContact O-N 3.46Å
194	L	98.9	Very high	98.8	Very high	9 Å²	9	33.7 Å²	33.7	5%	0.047	17%	0.174	C	C	.	.	H	α-helix	trans	-66	-29.8	178.8	-164.3	69.3	0	0	0	113	Y190 E191 K192 R239 V240 K256	Y190-L194 WeakPolarHBondContact O-CB 3.44Å; Y190-L194 PolarHBondContact O-N 3.23Å; E191-L194 PolarHBondContact O-N 2.76Å; K192-L194 VanDerWaalsContact C-N 3.3Å; K192-L194 PolarHBondContact O-N 3.26Å; L194-R239 HydrophobicContact CD2-CB 4.01Å; L194-V240 HydrophobicContact CD1-CG1 3.76Å; L194-K256 HydrophobicContact CD1-CB 3.97Å; L194-K256 HydrophobicContact CD1-CD 3.91Å; L194-K256 HydrophobicContact CD1-CG 3.92Å; L194-K256 HydrophobicContact CG-CD 4.36Å; L194-K256 PolarHBondContact O-NZ 3.2Å
195	L	98.9	Very high	98.9	Very high	98 Å²	98	29.9 Å²	29.9	51%	0.513	15%	0.151	S	C	.	.	H	α-helix	trans	-71.6	-39.1	172	-63.3	174.2	0	0	0	112.2	L166 E172 E191 K192 S193	L166-L195 HydrophobicContact CD1-CD1 4.17Å; L166-L195 HydrophobicContact CD2-CB 3.71Å; L166-L195 HydrophobicContact CD2-CD1 4.45Å; E172-L195 PolarHBondContact N-O 2.92Å; E191-L195 WeakPolarHBondContact O-CG 3.48Å; E191-L195 PolarHBondContact O-N 3.16Å; K192-L195 WeakPolarHBondContact O-CB 3.14Å; K192-L195 PolarHBondContact O-N 3.22Å; S193-L195 VanDerWaalsContact C-N 3.28Å; S193-L195 PolarHBondContact O-N 3.4Å
196	L	98.9	Very high	98.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-75.9	-26.6	178.7	-71.8	170.6	0	0	0	113.3	L102 L162 L165 L166 Q170 E172 T173 F174 K192 S193	L102-L196 HydrophobicContact CD2-CD1 4.04Å; L162-L196 HydrophobicContact CB-CD1 4.35Å; L162-L196 HydrophobicContact CD2-CD1 3.8Å; L165-L196 HydrophobicContact CB-CD1 4.28Å; L165-L196 HydrophobicContact CB-CD2 3.8Å; L165-L196 HydrophobicContact CD1-CD1 4.19Å; L166-L196 HydrophobicContact CD2-CD2 3.66Å; L166-L196 HydrophobicContact CD2-CG 3.87Å; L166-L196 HydrophobicContact CG-CD2 3.81Å; L166-L196 HydrophobicContact CG-CG 4.04Å; Q170-L196 HydrophobicContact CB-CD2 4.13Å; Q170-L196 WeakPolarHBondContact O-CD2 3.49Å; E172-L196 CarbonylContact C-O 3.29Å; E172-L196 VanDerWaalsContact CA-O 3.23Å; E172-L196 WeakPolarHBondContact CA-O 3.48Å; E172-L196 PolarHBondContact N-O 3.33Å; E172-L196 VanDerWaalsContact N-O 3.16Å; T173-L196 PolarHBondContact N-O 3.41Å; F174-L196 HydrophobicContact CD2-CB 3.86Å; F174-L196 HydrophobicContact CD2-CD2 4.3Å; F174-L196 HydrophobicContact CE2-CB 4.41Å; F174-L196 HydrophobicContact CE2-CD2 4.13Å; F174-L196 PolarHBondContact N-O 3.33Å; K192-L196 WeakPolarHBondContact O-CG 3.4Å; K192-L196 PolarHBondContact O-N 3.13Å; S193-L196 PolarHBondContact O-N 2.93Å; S193-L196 VanDerWaalsContact O-N 3.16Å
197	L	98.9	Very high	98.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	136.1	-175.4	-164.4	80	0	0	0	111.6	F174 V177 S193 G201 V203 K256	F174-L197 CarbonylContact O-C 3.49Å; F174-L197 WeakPolarHBondContact O-CA 3.47Å; F174-L197 WeakPolarHBondContact O-CD1 3.36Å; V177-L197 HydrophobicContact CG2-CD1 3.7Å; S193-L197 WeakPolarHBondContact O-CB 3.41Å; S193-L197 PolarHBondContact O-N 3.46Å; L197-G201 VanDerWaalsContact CD2-O 3.29Å; L197-G201 WeakPolarHBondContact CD2-O 3.37Å; L197-V203 HydrophobicContact CD2-CG2 3.68Å; L197-K256 HydrophobicContact CB-CD 4.36Å; L197-K256 HydrophobicContact CD2-CB 3.75Å; L197-K256 HydrophobicContact CD2-CD 4.46Å; L197-K256 VanDerWaalsContact O-CD 3.32Å; L197-K256 WeakPolarHBondContact O-CD 3.42Å; L197-K256 PolarHBondContact O-NZ 3.49Å
198	R	98.8	Very high	98.8	Very high	67 Å²	67	25.4 Å²	25.4	25%	0.253	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	161.7	169.9	67.1	159.2	175.6	83.7	0.2	112	I96 E172 F174 D175 G200 G201	I96-R198 PolarHBondContact O-NH2 3.32Å; I96-R198 VanDerWaalsContact O-NH2 3.15Å; E172-R198 WeakPolarHBondContact O-CB 3.1Å; F174-R198 WeakPolarHBondContact O-CG 3.49Å; F174-R198 PolarHBondContact O-N 3.2Å; D175-R198 WeakPolarHBondContact OD1-CD 3.33Å; D175-R198 IonicContact OD1-CZ 3.56Å; D175-R198 IonicContact OD1-NE 3.39Å; D175-R198 PolarHBondContact OD1-NE 3.08Å; D175-R198 IonicContact OD1-NH2 3.57Å; R198-G200 PolarHBondContact NH1-O 3.38Å; R198-G201 PolarHBondContact O-N 3.26Å
199	K	98.7	Very high	98.7	Very high	129 Å²	129	23.6 Å²	23.6	56%	0.561	12%	0.117	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	139.1	165.5	-65.2	-168	171	-174.2	0	111	G201 L257	K199-G201 PolarHBondContact O-N 2.95Å; K199-L257 WeakPolarHBondContact CG-O 3.29Å
200	G	98.6	Very high	98.5	Very high	31 Å²	31	24.7 Å²	24.7	32%	0.32	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	69.8	2.7	-172.2	0	0	0	0	0	114.8	R198 K256	R198-G200 PolarHBondContact NH1-O 3.38Å; G200-K256 WeakPolarHBondContact CA-O 3.34Å; G200-K256 PolarHBondContact N-O 2.88Å
201	G	98.9	Very high	98.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	165.8	170.7	0	0	0	0	0	111.4	D175 L197 R198 K199 V255 K256	D175-G201 CarbonylContact O-C 3.59Å; D175-G201 WeakPolarHBondContact O-CA 3.33Å; L197-G201 VanDerWaalsContact CD2-O 3.29Å; L197-G201 WeakPolarHBondContact CD2-O 3.37Å; R198-G201 PolarHBondContact O-N 3.26Å; K199-G201 PolarHBondContact O-N 2.95Å; G201-V255 WeakPolarHBondContact O-CA 3.39Å; G201-K256 PolarHBondContact O-N 2.99Å
202	I	98.9	Very high	98	Very high	9 Å²	9	28.7 Å²	28.7	5%	0.046	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.2	-175	-56.9	176.9	0	0	0	110.6	L92 I96 D175 F176 V177 L253 V255	L92-I202 HydrophobicContact CB-CD1 4.23Å; I96-I202 HydrophobicContact CD1-CD1 4.09Å; I96-I202 HydrophobicContact CD1-CG1 4.07Å; I96-I202 HydrophobicContact CG2-CD1 3.83Å; I96-I202 HydrophobicContact CG2-CG1 4.43Å; D175-I202 PolarHBondContact O-N 3Å; F176-I202 CarbonylContact C-O 3.57Å; F176-I202 WeakPolarHBondContact CA-O 3.47Å; F176-I202 HydrophobicContact CD2-CB 3.85Å; F176-I202 HydrophobicContact CD2-CD1 4.38Å; F176-I202 HydrophobicContact CD2-CG2 4.34Å; F176-I202 HydrophobicContact CE2-CB 3.88Å; F176-I202 HydrophobicContact CE2-CD1 4.17Å; F176-I202 HydrophobicContact CE2-CG2 3.88Å; F176-I202 HydrophobicContact CZ-CG2 4.35Å; V177-I202 PolarHBondContact N-O 3.01Å; I202-L253 HydrophobicContact CG2-CD2 4.24Å; I202-V255 HydrophobicContact CG1-CG2 4.23Å
203	V	98.9	Very high	97.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.9	158.7	-171.1	0	0	0	0	108.3	V177 I179 Y190 L197 I205 A254	V177-V203 HydrophobicContact CB-CG1 4.37Å; V177-V203 HydrophobicContact CB-CG2 4.39Å; V177-V203 CarbonylContact O-C 3.39Å; V177-V203 WeakPolarHBondContact O-CA 3.37Å; I179-V203 HydrophobicContact CD1-CG1 3.68Å; I179-V203 HydrophobicContact CG1-CG1 4.17Å; Y190-V203 HydrophobicContact CD2-CG1 4.38Å; L197-V203 HydrophobicContact CD2-CG2 3.68Å; V203-I205 HydrophobicContact CG1-CD1 4.33Å; V203-I205 HydrophobicContact CG1-CG1 3.91Å; V203-A254 HydrophobicContact CB-CB 4.42Å; V203-A254 PolarHBondContact N-O 3.48Å; V203-A254 PolarHBondContact O-N 3.23Å
204	A	98.9	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.5	173.3	0	0	0	0	0	109.2	M89 F176 V177 F178 I179 L251 T252 L253	M89-A204 HydrophobicContact SD-CB 4.04Å; F176-A204 HydrophobicContact CE1-CB 3.85Å; F176-A204 HydrophobicContact CZ-CB 3.73Å; V177-A204 PolarHBondContact O-N 3.37Å; F178-A204 CarbonylContact C-O 3.58Å; F178-A204 WeakPolarHBondContact CA-O 3.42Å; F178-A204 HydrophobicContact CD2-CB 4.01Å; F178-A204 WeakPolarHBondContact CD2-O 3.47Å; I179-A204 PolarHBondContact N-O 3.33Å; A204-L251 HydrophobicContact CB-CD1 4.15Å; A204-T252 CarbonylContact C-O 3.46Å; A204-T252 WeakPolarHBondContact CA-O 3.49Å; A204-L253 HydrophobicContact CB-CD2 4Å
205	I	98.9	Very high	97.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119	-174.3	-49.4	175.6	0	0	0	108.5	I179 Y186 Y190 V203 V208 L230 L234 L251 T252	I179-I205 HydrophobicContact CB-CG1 4.5Å; I179-I205 HydrophobicContact CB-CG2 4.37Å; I179-I205 HydrophobicContact CD1-CG1 4.23Å; Y186-I205 HydrophobicContact CD2-CG2 3.71Å; Y186-I205 HydrophobicContact CE2-CG2 3.63Å; Y190-I205 HydrophobicContact CD2-CD1 4.03Å; V203-I205 HydrophobicContact CG1-CD1 4.33Å; V203-I205 HydrophobicContact CG1-CG1 3.91Å; I205-V208 HydrophobicContact CB-CG1 4.1Å; I205-V208 HydrophobicContact CG2-CG1 3.84Å; I205-V208 WeakPolarHBondContact O-CG1 3.38Å; I205-L230 HydrophobicContact CD1-CD2 4.36Å; I205-L230 HydrophobicContact CG2-CD2 4.15Å; I205-L234 HydrophobicContact CD1-CD1 3.72Å; I205-L251 WeakPolarHBondContact O-CA 3.4Å; I205-T252 PolarHBondContact N-O 3.27Å; I205-T252 PolarHBondContact O-N 3.11Å
206	D	98.4	Very high	97.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	164	-176.5	-157.4	20.4	0	0	0	113.2	Q85 F178 I179 D180 Y186 V208 G250	Q85-D206 VanDerWaalsContact NE2-CG 3.25Å; Q85-D206 PolarHBondContact NE2-OD1 3.24Å; F178-D206 HydrophobicContact CE2-CB 3.77Å; F178-D206 HydrophobicContact CZ-CB 3.74Å; I179-D206 PolarHBondContact O-N 3.31Å; D180-D206 HydrophobicContact CB-CB 3.94Å; Y186-D206 WeakPolarHBondContact CE2-O 3.25Å; Y186-D206 PolarHBondContact OH-O 2.58Å; D206-V208 PolarHBondContact O-N 3.45Å; D206-V208 VanDerWaalsContact O-N 3.13Å; D206-G250 CarbonylContact C-O 3.36Å
207	N	97.7	Very high	96.9	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.043	23%	0.228	C	C	.	.			trans	54.9	28.3	175.9	-32.9	139	0	0	0	115.5	D180 K183 L209 W210 D249 G250	D180-N207 PolarHBondContact OD1-OD1 3.27Å; D180-N207 VanDerWaalsContact OD1-OD1 3.05Å; K183-N207 WeakPolarHBondContact CE-OD1 3.33Å; K183-N207 PolarHBondContact NZ-OD1 2.69Å; N207-L209 PolarHBondContact O-N 3.46Å; N207-L209 VanDerWaalsContact O-N 3.16Å; N207-W210 HydrophobicContact CB-CE3 3.53Å; N207-W210 HydrophobicContact CB-CZ3 3.72Å; N207-W210 WeakPolarHBondContact O-CA 3.31Å; N207-W210 PolarHBondContact O-N 3.35Å; N207-D249 CarbonylContact C-O 3.53Å; N207-D249 VanDerWaalsContact C-O 3.28Å; N207-D249 VanDerWaalsContact CA-O 3.26Å; N207-D249 WeakPolarHBondContact CA-O 3.16Å; N207-D249 HydrophobicContact CB-CB 4.25Å; N207-G250 PolarHBondContact N-O 2.8Å
208	V	98.1	Very high	96.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.8	-177	-65.7	0	0	0	0	113.9	I205 D206 I227 N231 M244 G250 T252	I205-V208 HydrophobicContact CB-CG1 4.1Å; I205-V208 HydrophobicContact CG2-CG1 3.84Å; I205-V208 WeakPolarHBondContact O-CG1 3.38Å; D206-V208 PolarHBondContact O-N 3.45Å; D206-V208 VanDerWaalsContact O-N 3.13Å; V208-I227 WeakPolarHBondContact O-CG2 3.27Å; V208-N231 PolarHBondContact O-ND2 3.37Å; V208-M244 HydrophobicContact CB-CE 4.43Å; V208-M244 HydrophobicContact CG2-CE 4.37Å; V208-M244 HydrophobicContact CG2-CG 3.98Å; V208-M244 HydrophobicContact CG2-SD 4.36Å; V208-G250 VanDerWaalsContact CG2-C 3.44Å; V208-G250 PolarHBondContact N-O 3Å; V208-T252 WeakPolarHBondContact CG2-OG1 3.26Å
209	L	97	Very high	96.3	Very high	36 Å²	36	48.6 Å²	48.6	19%	0.188	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-18.9	172.1	-59.6	174.8	0	0	0	112.1	I37 N207 N211 G212 V214 M244 T246 D249	I37-L209 HydrophobicContact CD1-CD1 4.34Å; I37-L209 HydrophobicContact CG2-CD1 4.29Å; N207-L209 PolarHBondContact O-N 3.46Å; N207-L209 VanDerWaalsContact O-N 3.16Å; L209-N211 PolarHBondContact O-N 2.83Å; L209-G212 VanDerWaalsContact O-CA 3.25Å; L209-G212 WeakPolarHBondContact O-CA 3.27Å; L209-G212 PolarHBondContact O-N 3Å; L209-V214 WeakPolarHBondContact O-CG2 3.39Å; L209-M244 HydrophobicContact CD2-SD 3.95Å; L209-T246 HydrophobicContact CD1-CG2 4.29Å; L209-D249 WeakPolarHBondContact CB-O 3.33Å; L209-D249 PolarHBondContact N-O 2.71Å
210	W	95.9	Very high	96.2	Very high	31 Å²	31	50.1 Å²	50.1	12%	0.117	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	46.6	52	173.3	-155.7	-128.8	0	0	0	114	K183 N207 G212 R213 V214 D223 T224 I227 D249	K183-W210 HydrophobicContact CD-CH2 4.03Å; K183-W210 HydrophobicContact CD-CZ3 4.01Å; K183-W210 HydrophobicContact CG-CH2 3.63Å; K183-W210 HydrophobicContact CG-CZ2 3.85Å; K183-W210 HydrophobicContact CG-CZ3 4.06Å; N207-W210 HydrophobicContact CB-CE3 3.53Å; N207-W210 HydrophobicContact CB-CZ3 3.72Å; N207-W210 WeakPolarHBondContact O-CA 3.31Å; N207-W210 PolarHBondContact O-N 3.35Å; W210-G212 PolarHBondContact O-N 2.9Å; W210-G212 VanDerWaalsContact O-N 3.16Å; W210-R213 VanDerWaalsContact NE1-NH2 3.12Å; W210-R213 VanDerWaalsContact O-CB 3.27Å; W210-R213 WeakPolarHBondContact O-CB 3.35Å; W210-R213 WeakPolarHBondContact O-CG 3.43Å; W210-R213 PolarHBondContact O-N 3.22Å; W210-R213 PolarHBondContact O-NE 2.93Å; W210-V214 HydrophobicContact CB-CG1 3.97Å; W210-D223 HydrophobicContact CZ2-CB 3.85Å; W210-T224 PolarHBondContact NE1-OG1 2.93Å; W210-I227 HydrophobicContact CB-CD1 3.78Å; W210-I227 HydrophobicContact CD2-CD1 3.32Å; W210-I227 HydrophobicContact CE3-CD1 3.57Å; W210-I227 HydrophobicContact CG-CD1 3.46Å; W210-I227 VanDerWaalsContact CG-CD1 3.46Å; W210-I227 HydrophobicContact CZ3-CD1 4.32Å; W210-D249 WeakPolarHBondContact CA-OD2 3.39Å
211	N	92.3	Very high	96.1	Very high	104 Å²	104	50.8 Å²	50.8	56%	0.556	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	55.3	28.4	-174.9	-58.7	-83.5	0	0	0	113.6	L209 R213 D249	L209-N211 PolarHBondContact O-N 2.83Å; N211-R213 VanDerWaalsContact C-N 3.27Å; N211-R213 PolarHBondContact O-N 2.94Å; N211-D249 WeakPolarHBondContact CA-OD1 3.39Å; N211-D249 PolarHBondContact N-OD1 3.16Å; N211-D249 PolarHBondContact N-OD2 3.39Å; N211-D249 PolarHBondContact ND2-OD2 3.02Å; N211-D249 VanDerWaalsContact ND2-OD2 3.12Å
212	G	94.2	Very high	96	Very high	32 Å²	32	53.7 Å²	53.7	33%	0.33	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	77.2	2.4	-175.8	0	0	0	0	0	114.7	L209 W210 V214 L215	L209-G212 VanDerWaalsContact O-CA 3.25Å; L209-G212 WeakPolarHBondContact O-CA 3.27Å; L209-G212 PolarHBondContact O-N 3Å; W210-G212 PolarHBondContact O-N 2.9Å; W210-G212 VanDerWaalsContact O-N 3.16Å; G212-V214 PolarHBondContact O-N 2.86Å; G212-L215 WeakPolarHBondContact O-CB 3.27Å; G212-L215 WeakPolarHBondContact O-CG 3.42Å; G212-L215 PolarHBondContact O-N 3.1Å; G212-L215 VanDerWaalsContact O-N 3.11Å
213	R	94.3	Very high	96	Very high	107 Å²	107	56.1 Å²	56.1	40%	0.404	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-62	-26.7	179.8	-69.5	-172.8	-75.9	-116.8	-0.3	112.6	W210 N211 L215 N216 T224	W210-R213 VanDerWaalsContact NE1-NH2 3.12Å; W210-R213 VanDerWaalsContact O-CB 3.27Å; W210-R213 WeakPolarHBondContact O-CB 3.35Å; W210-R213 WeakPolarHBondContact O-CG 3.43Å; W210-R213 PolarHBondContact O-N 3.22Å; W210-R213 PolarHBondContact O-NE 2.93Å; N211-R213 VanDerWaalsContact C-N 3.27Å; N211-R213 PolarHBondContact O-N 2.94Å; R213-L215 PolarHBondContact O-N 3Å; R213-L215 VanDerWaalsContact O-N 3.11Å; R213-N216 CarbonylContact O-C 3.5Å; R213-N216 VanDerWaalsContact O-C 3.29Å; R213-N216 PolarHBondContact O-N 2.91Å; R213-N216 VanDerWaalsContact O-N 3.09Å; R213-T224 HydrophobicContact CB-CG2 3.69Å; R213-T224 WeakPolarHBondContact O-CG2 3.37Å
214	V	95.9	Very high	95.9	Very high	20 Å²	20	56.1 Å²	56.1	12%	0.121	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-60.4	-18.6	175.4	-59.7	0	0	0	0	113.9	L209 W210 G212 N216 I227	L209-V214 WeakPolarHBondContact O-CG2 3.39Å; W210-V214 HydrophobicContact CB-CG1 3.97Å; G212-V214 PolarHBondContact O-N 2.86Å; V214-N216 VanDerWaalsContact C-N 3.28Å; V214-N216 PolarHBondContact O-N 2.95Å; V214-I227 HydrophobicContact CG1-CB 4.28Å; V214-I227 HydrophobicContact CG1-CG2 3.69Å
215	L	95.1	Very high	95.9	Very high	155 Å²	155	57.6 Å²	57.6	81%	0.812	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-71.1	-24.2	176.5	-63.1	176.6	0	0	0	112.9	G212 R213	G212-L215 WeakPolarHBondContact O-CB 3.27Å; G212-L215 WeakPolarHBondContact O-CG 3.42Å; G212-L215 PolarHBondContact O-N 3.1Å; G212-L215 VanDerWaalsContact O-N 3.11Å; R213-L215 PolarHBondContact O-N 3Å; R213-L215 VanDerWaalsContact O-N 3.11Å
216	N	93.8	Very high	95.9	Very high	141 Å²	141	58.6 Å²	58.6	75%	0.754	34%	0.336	S	S	*	.	S	Bend	trans	-148.4	74.9	177.5	-172.4	26.9	0	0	0	109.9	R213 V214 S218	R213-N216 CarbonylContact O-C 3.5Å; R213-N216 VanDerWaalsContact O-C 3.29Å; R213-N216 PolarHBondContact O-N 2.91Å; R213-N216 VanDerWaalsContact O-N 3.09Å; V214-N216 VanDerWaalsContact C-N 3.28Å; V214-N216 PolarHBondContact O-N 2.95Å; N216-S218 PolarHBondContact O-N 3.33Å
217	P	93.1	Very high	95.9	Very high	43 Å²	43	58.6 Å²	58.6	28%	0.279	34%	0.336	S	S	.	.			trans	-67.1	119.4	-174.6	27.1	-34	0	0	0	111	T224 V225 D228	P217-T224 HydrophobicContact CB-CG2 3.84Å; P217-V225 HydrophobicContact CB-CG2 4.39Å; P217-D228 HydrophobicContact CB-CB 4.44Å; P217-D228 HydrophobicContact CG-CB 4.46Å
218	S	93.4	Very high	95.9	Very high	57 Å²	57	59.3 Å²	59.3	40%	0.399	34%	0.34	S	S	.	.			trans	-73.3	131.8	171.6	177.5	0	0	0	0	110	N216 N220 D221 V225	N216-S218 PolarHBondContact O-N 3.33Å; S218-N220 PolarHBondContact O-N 3.34Å; S218-N220 VanDerWaalsContact O-N 3.09Å; S218-N220 PolarHBondContact OG-N 3.14Å; S218-D221 PolarHBondContact O-N 3.06Å; S218-V225 WeakPolarHBondContact O-CG2 3.46Å
219	P	91.4	Very high	95.9	Very high	117 Å²	117	65.9 Å²	65.9	76%	0.76	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23	176.1	-25.3	34.5	0	0	0	114.6	D221	P219-D221 VanDerWaalsContact C-N 3.33Å
220	N	95.5	Very high	96	Very high	160 Å²	160	64.3 Å²	64.3	86%	0.856	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	1.2	179.3	-63.7	-20.8	0	0	0	113.2	S218	S218-N220 PolarHBondContact O-N 3.34Å; S218-N220 VanDerWaalsContact O-N 3.09Å; S218-N220 PolarHBondContact OG-N 3.14Å
221	D	97	Very high	96.2	Very high	46 Å²	46	63.7 Å²	63.7	25%	0.246	36%	0.359	C	S	.	.			trans	-110.4	90.1	176.3	-177.9	-16.5	0	0	0	108.7	S218 P219 D223 T224 V225	S218-D221 PolarHBondContact O-N 3.06Å; P219-D221 VanDerWaalsContact C-N 3.33Å; D221-D223 VanDerWaalsContact C-N 3.26Å; D221-D223 PolarHBondContact O-N 3.46Å; D221-D223 PolarHBondContact OD1-N 3.15Å; D221-T224 VanDerWaalsContact CG-CB 3.46Å; D221-T224 PolarHBondContact O-N 3.1Å; D221-T224 PolarHBondContact OD1-N 3.19Å; D221-T224 PolarHBondContact OD1-OG1 2.8Å; D221-T224 WeakPolarHBondContact OD2-CB 3.23Å; D221-T224 PolarHBondContact OD2-OG1 2.82Å; D221-V225 VanDerWaalsContact O-CG2 3.31Å; D221-V225 WeakPolarHBondContact O-CG2 3.15Å; D221-V225 PolarHBondContact O-N 2.85Å
222	A	97.9	Very high	96.5	Very high	61 Å²	61	64 Å²	64	50%	0.504	36%	0.356	S	S	.	.	H	α-helix	trans	-59.9	-35.9	-174.7	0	0	0	0	0	112.6	V184 A226	V184-A222 HydrophobicContact CG2-CB 4.03Å; A222-A226 VanDerWaalsContact O-CB 3.3Å; A222-A226 WeakPolarHBondContact O-CB 3.4Å; A222-A226 PolarHBondContact O-N 3.07Å
223	D	97.8	Very high	96.7	Very high	59 Å²	59	65.5 Å²	65.5	32%	0.316	35%	0.353	S	S	.	.	H	α-helix	trans	-66.9	-50.1	178.8	-72.7	-18.2	0	0	0	111	K183 W210 D221 V225 A226 I227	K183-D223 HydrophobicContact CB-CB 3.85Å; K183-D223 HydrophobicContact CG-CB 4.09Å; W210-D223 HydrophobicContact CZ2-CB 3.85Å; D221-D223 VanDerWaalsContact C-N 3.26Å; D221-D223 PolarHBondContact O-N 3.46Å; D221-D223 PolarHBondContact OD1-N 3.15Å; D223-V225 VanDerWaalsContact C-N 3.29Å; D223-V225 PolarHBondContact O-N 3.22Å; D223-A226 PolarHBondContact O-N 2.71Å; D223-I227 WeakPolarHBondContact O-CG1 3.43Å; D223-I227 PolarHBondContact O-N 3.04Å
224	T	97.9	Very high	96.9	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-61	-41	178.4	-62.2	0	0	0	0	111.1	W210 R213 P217 D221 D228	W210-T224 PolarHBondContact NE1-OG1 2.93Å; R213-T224 HydrophobicContact CB-CG2 3.69Å; R213-T224 WeakPolarHBondContact O-CG2 3.37Å; P217-T224 HydrophobicContact CB-CG2 3.84Å; D221-T224 VanDerWaalsContact CG-CB 3.46Å; D221-T224 PolarHBondContact O-N 3.1Å; D221-T224 PolarHBondContact OD1-N 3.19Å; D221-T224 PolarHBondContact OD1-OG1 2.8Å; D221-T224 WeakPolarHBondContact OD2-CB 3.23Å; D221-T224 PolarHBondContact OD2-OG1 2.82Å; T224-D228 WeakPolarHBondContact O-CB 3.41Å; T224-D228 PolarHBondContact O-N 3.43Å
225	V	98.3	Very high	97	Very high	31 Å²	31	66.8 Å²	66.8	19%	0.188	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-41.7	176.8	170.3	0	0	0	0	111.4	P217 S218 D221 D223 K229	P217-V225 HydrophobicContact CB-CG2 4.39Å; S218-V225 WeakPolarHBondContact O-CG2 3.46Å; D221-V225 VanDerWaalsContact O-CG2 3.31Å; D221-V225 WeakPolarHBondContact O-CG2 3.15Å; D221-V225 PolarHBondContact O-N 2.85Å; D223-V225 VanDerWaalsContact C-N 3.29Å; D223-V225 PolarHBondContact O-N 3.22Å; V225-K229 HydrophobicContact CG1-CD 4Å; V225-K229 WeakPolarHBondContact O-CB 3.48Å; V225-K229 VanDerWaalsContact O-CG 3.26Å; V225-K229 WeakPolarHBondContact O-CG 3.33Å; V225-K229 PolarHBondContact O-N 3.35Å
226	A	98.5	Very high	97.2	Very high	21 Å²	21	68.9 Å²	68.9	17%	0.174	36%	0.359	C	S	.	.	H	α-helix	trans	-64.2	-45	178.5	0	0	0	0	0	111.7	K183 A222 D223 K229 L230	K183-A226 WeakPolarHBondContact O-CB 3.3Å; A222-A226 VanDerWaalsContact O-CB 3.3Å; A222-A226 WeakPolarHBondContact O-CB 3.4Å; A222-A226 PolarHBondContact O-N 3.07Å; D223-A226 PolarHBondContact O-N 2.71Å; A226-K229 PolarHBondContact O-N 3.35Å; A226-L230 WeakPolarHBondContact O-CB 3.34Å; A226-L230 PolarHBondContact O-N 2.97Å
227	I	98.6	Very high	97.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-45.8	178.8	-65.3	167.9	0	0	0	111.3	K183 V208 W210 V214 D223 K229 L230 N231	K183-I227 HydrophobicContact CB-CD1 3.96Å; K183-I227 HydrophobicContact CB-CG1 3.99Å; K183-I227 HydrophobicContact CD-CD1 4.13Å; K183-I227 HydrophobicContact CG-CD1 3.86Å; K183-I227 HydrophobicContact CG-CG1 4.41Å; V208-I227 WeakPolarHBondContact O-CG2 3.27Å; W210-I227 HydrophobicContact CB-CD1 3.78Å; W210-I227 HydrophobicContact CD2-CD1 3.32Å; W210-I227 HydrophobicContact CE3-CD1 3.57Å; W210-I227 HydrophobicContact CG-CD1 3.46Å; W210-I227 VanDerWaalsContact CG-CD1 3.46Å; W210-I227 HydrophobicContact CZ3-CD1 4.32Å; V214-I227 HydrophobicContact CG1-CB 4.28Å; V214-I227 HydrophobicContact CG1-CG2 3.69Å; D223-I227 WeakPolarHBondContact O-CG1 3.43Å; D223-I227 PolarHBondContact O-N 3.04Å; I227-K229 VanDerWaalsContact C-N 3.33Å; I227-K229 PolarHBondContact O-N 3.28Å; I227-L230 PolarHBondContact O-N 2.9Å; I227-N231 WeakPolarHBondContact O-CB 3.49Å; I227-N231 VanDerWaalsContact O-CG 3.25Å; I227-N231 PolarHBondContact O-N 3.16Å; I227-N231 PolarHBondContact O-ND2 3.37Å
228	D	98.5	Very high	97.7	Very high	24 Å²	24	68.3 Å²	68.3	13%	0.128	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-43.6	177.1	172.8	56.9	0	0	0	111.8	P217 T224 N231 K232	P217-D228 HydrophobicContact CB-CB 4.44Å; P217-D228 HydrophobicContact CG-CB 4.46Å; T224-D228 WeakPolarHBondContact O-CB 3.41Å; T224-D228 PolarHBondContact O-N 3.43Å; D228-N231 PolarHBondContact O-N 3.47Å; D228-K232 WeakPolarHBondContact O-CG 3.1Å; D228-K232 PolarHBondContact O-N 3.48Å; D228-K232 VanDerWaalsContact O-N 3.11Å; D228-K232 WeakPolarHBondContact OD1-CE 3.48Å; D228-K232 IonicContact OD1-NZ 2.66Å; D228-K232 PolarHBondContact OD1-NZ 3.09Å; D228-K232 IonicContact OD2-NZ 2.8Å; D228-K232 PolarHBondContact OD2-NZ 3.13Å
229	K	98.6	Very high	98	Very high	138 Å²	138	70.2 Å²	70.2	60%	0.6	35%	0.351	S	S	*	.	H	α-helix	trans	-60.8	-47	175.2	-77.1	175.2	179.2	176.5	0	111.8	V225 A226 I227 K232 K233	V225-K229 HydrophobicContact CG1-CD 4Å; V225-K229 WeakPolarHBondContact O-CB 3.48Å; V225-K229 VanDerWaalsContact O-CG 3.26Å; V225-K229 WeakPolarHBondContact O-CG 3.33Å; V225-K229 PolarHBondContact O-N 3.35Å; A226-K229 PolarHBondContact O-N 3.35Å; I227-K229 VanDerWaalsContact C-N 3.33Å; I227-K229 PolarHBondContact O-N 3.28Å; K229-K232 PolarHBondContact O-N 3.33Å; K229-K233 WeakPolarHBondContact O-CB 3.29Å; K229-K233 PolarHBondContact O-N 2.9Å
230	L	98.8	Very high	98.3	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-49.1	177.7	178.9	70.9	0	0	0	111.2	Y186 D187 Y190 I205 A226 I227 K232 K233 L234	Y186-L230 HydrophobicContact CD2-CD2 3.81Å; Y186-L230 HydrophobicContact CG-CD2 4.29Å; D187-L230 HydrophobicContact CB-CD1 4.48Å; Y190-L230 HydrophobicContact CD1-CD1 4.5Å; Y190-L230 HydrophobicContact CG-CD1 4.44Å; I205-L230 HydrophobicContact CD1-CD2 4.36Å; I205-L230 HydrophobicContact CG2-CD2 4.15Å; A226-L230 WeakPolarHBondContact O-CB 3.34Å; A226-L230 PolarHBondContact O-N 2.97Å; I227-L230 PolarHBondContact O-N 2.9Å; L230-K232 VanDerWaalsContact C-N 3.3Å; L230-K232 PolarHBondContact O-N 2.81Å; L230-K233 WeakPolarHBondContact O-CB 3.49Å; L230-K233 PolarHBondContact O-N 3.27Å; L230-L234 HydrophobicContact CD1-CD1 4.18Å; L230-L234 HydrophobicContact CD1-CD2 4.49Å; L230-L234 HydrophobicContact CD1-CG 4.12Å; L230-L234 HydrophobicContact CD2-CD1 4.32Å; L230-L234 HydrophobicContact CG-CD1 3.83Å; L230-L234 HydrophobicContact CG-CG 4.17Å; L230-L234 WeakPolarHBondContact O-CG 3.49Å; L230-L234 PolarHBondContact O-N 3.2Å
231	N	98.8	Very high	98.5	Very high	19 Å²	19	61.2 Å²	61.2	10%	0.102	30%	0.299	C	S	.	.	H	α-helix	trans	-55.8	-44.9	179.4	-74.7	-20.1	0	0	0	112	V208 I227 D228 H235 M244	V208-N231 PolarHBondContact O-ND2 3.37Å; I227-N231 WeakPolarHBondContact O-CB 3.49Å; I227-N231 VanDerWaalsContact O-CG 3.25Å; I227-N231 PolarHBondContact O-N 3.16Å; I227-N231 PolarHBondContact O-ND2 3.37Å; D228-N231 PolarHBondContact O-N 3.47Å; N231-H235 PolarHBondContact O-N 3.47Å; N231-H235 VanDerWaalsContact O-N 3.15Å; N231-M244 HydrophobicContact CB-CE 3.93Å; N231-M244 VanDerWaalsContact CG-CE 3.45Å; N231-M244 VanDerWaalsContact OD1-CE 3.3Å; N231-M244 WeakPolarHBondContact OD1-CE 3.42Å
232	K	98.6	Very high	98.5	Very high	111 Å²	111	62 Å²	62	48%	0.483	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-35.1	177.1	-73.6	167.6	177.7	159.9	0	112.8	D228 K229 L230	D228-K232 WeakPolarHBondContact O-CG 3.1Å; D228-K232 PolarHBondContact O-N 3.48Å; D228-K232 VanDerWaalsContact O-N 3.11Å; D228-K232 WeakPolarHBondContact OD1-CE 3.48Å; D228-K232 IonicContact OD1-NZ 2.66Å; D228-K232 PolarHBondContact OD1-NZ 3.09Å; D228-K232 IonicContact OD2-NZ 2.8Å; D228-K232 PolarHBondContact OD2-NZ 3.13Å; K229-K232 PolarHBondContact O-N 3.33Å; L230-K232 VanDerWaalsContact C-N 3.3Å; L230-K232 PolarHBondContact O-N 2.81Å
233	K	98.8	Very high	98.6	Very high	63 Å²	63	61.7 Å²	61.7	27%	0.274	30%	0.298	S	S	.	.	H	α-helix	trans	-66.2	-52.8	174.5	179	-173.8	175.1	-178.8	0	110.8	D187 E191 K229 L230 H235 R236 D237	D187-K233 WeakPolarHBondContact OD1-CD 3.44Å; D187-K233 WeakPolarHBondContact OD1-CE 3.41Å; D187-K233 IonicContact OD1-NZ 3.81Å; D187-K233 PolarHBondContact OD1-NZ 3.39Å; D187-K233 IonicContact OD2-NZ 3.89Å; D187-K233 PolarHBondContact OD2-NZ 2.92Å; E191-K233 WeakPolarHBondContact OE1-CE 3.49Å; E191-K233 IonicContact OE1-NZ 2.76Å; E191-K233 PolarHBondContact OE1-NZ 2.85Å; K229-K233 WeakPolarHBondContact O-CB 3.29Å; K229-K233 PolarHBondContact O-N 2.9Å; L230-K233 WeakPolarHBondContact O-CB 3.49Å; L230-K233 PolarHBondContact O-N 3.27Å; K233-H235 VanDerWaalsContact C-N 3.26Å; K233-H235 PolarHBondContact O-N 2.91Å; K233-R236 CarbonylContact O-C 3.53Å; K233-R236 PolarHBondContact O-N 3.25Å; K233-D237 PolarHBondContact O-N 3.46Å; K233-D237 VanDerWaalsContact O-N 3.13Å
234	L	98.8	Very high	98.6	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-56.2	-40.9	-179.5	-69.7	174.3	0	0	0	111.9	Y190 I205 L230 R236 D237 L242 T252	Y190-L234 HydrophobicContact CD1-CD2 3.93Å; Y190-L234 HydrophobicContact CD2-CD2 3.82Å; Y190-L234 HydrophobicContact CE1-CD2 3.53Å; Y190-L234 HydrophobicContact CE2-CD2 3.41Å; Y190-L234 VanDerWaalsContact CE2-CD2 3.41Å; Y190-L234 HydrophobicContact CG-CD2 4.06Å; I205-L234 HydrophobicContact CD1-CD1 3.72Å; L230-L234 HydrophobicContact CD1-CD1 4.18Å; L230-L234 HydrophobicContact CD1-CD2 4.49Å; L230-L234 HydrophobicContact CD1-CG 4.12Å; L230-L234 HydrophobicContact CD2-CD1 4.32Å; L230-L234 HydrophobicContact CG-CD1 3.83Å; L230-L234 HydrophobicContact CG-CG 4.17Å; L230-L234 WeakPolarHBondContact O-CG 3.49Å; L230-L234 PolarHBondContact O-N 3.2Å; L234-R236 PolarHBondContact O-N 3.49Å; L234-R236 VanDerWaalsContact O-N 3.1Å; L234-D237 PolarHBondContact O-N 3.09Å; L234-L242 HydrophobicContact CB-CD1 3.97Å; L234-L242 HydrophobicContact CB-CD2 3.97Å; L234-T252 HydrophobicContact CD1-CG2 3.99Å
235	H	98.6	Very high	98.6	Very high	151 Å²	151	64.9 Å²	64.9	70%	0.699	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.5	177.5	-176.4	55.9	0	0	0	113.9	N231 K233	N231-H235 PolarHBondContact O-N 3.47Å; N231-H235 VanDerWaalsContact O-N 3.15Å; K233-H235 VanDerWaalsContact C-N 3.26Å; K233-H235 PolarHBondContact O-N 2.91Å
236	R	98.6	Very high	98.4	Very high	198 Å²	198	67.9 Å²	67.9	75%	0.747	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-1.3	-179.8	-61.1	174.1	-177.7	163.6	0.2	112.7	K233 L234 I238	K233-R236 CarbonylContact O-C 3.53Å; K233-R236 PolarHBondContact O-N 3.25Å; L234-R236 PolarHBondContact O-N 3.49Å; L234-R236 VanDerWaalsContact O-N 3.1Å; R236-I238 PolarHBondContact O-N 3.16Å
237	D	98.8	Very high	98.2	Very high	20 Å²	20	69 Å²	69	11%	0.107	34%	0.335	C	S	.	.			trans	-78.8	107.9	-175.4	-162.7	-32.6	0	0	0	110.5	Y190 K233 L234 R239 V240	Y190-D237 WeakPolarHBondContact CE1-OD2 3.34Å; Y190-D237 PolarHBondContact OH-OD2 3.28Å; Y190-D237 VanDerWaalsContact OH-OD2 3.07Å; K233-D237 PolarHBondContact O-N 3.46Å; K233-D237 VanDerWaalsContact O-N 3.13Å; L234-D237 PolarHBondContact O-N 3.09Å; D237-R239 PolarHBondContact O-N 3.45Å; D237-R239 WeakPolarHBondContact OD1-CB 3.49Å; D237-R239 WeakPolarHBondContact OD1-CG 3.42Å; D237-R239 IonicContact OD1-CZ 3.68Å; D237-R239 PolarHBondContact OD1-N 3.23Å; D237-R239 IonicContact OD1-NE 2.98Å; D237-R239 PolarHBondContact OD1-NE 2.93Å; D237-R239 IonicContact OD1-NH2 3.66Å; D237-R239 IonicContact OD2-CZ 3.88Å; D237-R239 IonicContact OD2-NE 3.27Å; D237-R239 PolarHBondContact OD2-NE 3.37Å; D237-R239 IonicContact OD2-NH2 2.73Å; D237-R239 PolarHBondContact OD2-NH2 3.36Å; D237-V240 HydrophobicContact CB-CG2 4.21Å
238	I	98.6	Very high	97.9	Very high	153 Å²	153	69.1 Å²	69.1	79%	0.785	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-3.4	-178.2	62.9	165.6	0	0	0	113.6	R236 V240 L257	R236-I238 PolarHBondContact O-N 3.16Å; I238-V240 VanDerWaalsContact C-N 3.31Å; I238-L257 WeakPolarHBondContact O-CD1 3.22Å
239	R	98.8	Very high	97.7	Very high	97 Å²	97	68.3 Å²	68.3	37%	0.366	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.7	179.7	-57	173.2	-68.3	177.4	1.1	112.5	E191 L194 D237 L257	E191-R239 IonicContact OE1-CZ 2.85Å; E191-R239 IonicContact OE1-NH1 3.16Å; E191-R239 IonicContact OE1-NH2 3.94Å; E191-R239 PolarHBondContact OE1-NH2 2.56Å; E191-R239 IonicContact OE2-CZ 3.88Å; E191-R239 IonicContact OE2-NH1 2.73Å; E191-R239 PolarHBondContact OE2-NH1 2.82Å; E191-R239 IonicContact OE2-NH2 2.68Å; E191-R239 PolarHBondContact OE2-NH2 3.01Å; E191-R239 VanDerWaalsContact OE2-NH2 3.16Å; L194-R239 HydrophobicContact CD2-CB 4.01Å; D237-R239 PolarHBondContact O-N 3.45Å; D237-R239 WeakPolarHBondContact OD1-CB 3.49Å; D237-R239 WeakPolarHBondContact OD1-CG 3.42Å; D237-R239 IonicContact OD1-CZ 3.68Å; D237-R239 PolarHBondContact OD1-N 3.23Å; D237-R239 IonicContact OD1-NE 2.98Å; D237-R239 PolarHBondContact OD1-NE 2.93Å; D237-R239 IonicContact OD1-NH2 3.66Å; D237-R239 IonicContact OD2-CZ 3.88Å; D237-R239 IonicContact OD2-NE 3.27Å; D237-R239 PolarHBondContact OD2-NE 3.37Å; D237-R239 IonicContact OD2-NH2 2.73Å; D237-R239 PolarHBondContact OD2-NH2 3.36Å; R239-L257 PolarHBondContact O-N 2.62Å
240	V	98.9	Very high	97.6	Very high	12 Å²	12	61.8 Å²	61.8	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	154.2	-173.5	-58.7	0	0	0	0	112.6	Y190 L194 D237 I238 A254 V255	Y190-V240 WeakPolarHBondContact OH-CG1 3.28Å; L194-V240 HydrophobicContact CD1-CG1 3.76Å; D237-V240 HydrophobicContact CB-CG2 4.21Å; I238-V240 VanDerWaalsContact C-N 3.31Å; V240-A254 HydrophobicContact CB-CB 4.16Å; V240-A254 HydrophobicContact CG1-CB 4.18Å; V240-A254 HydrophobicContact CG2-CB 4.15Å; V240-V255 CarbonylContact C-O 3.49Å; V240-V255 WeakPolarHBondContact CA-O 3.41Å; V240-V255 WeakPolarHBondContact CB-O 3.41Å
241	T	98.7	Very high	97.6	Very high	76 Å²	76	61.7 Å²	61.7	47%	0.466	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.6	155.8	69.2	0	0	0	0	109.2	V255 L257	T241-V255 PolarHBondContact N-O 2.78Å; T241-V255 PolarHBondContact O-N 3.47Å; T241-V255 WeakPolarHBondContact OG1-CB 3.49Å; T241-L257 HydrophobicContact CG2-CD2 3.57Å; T241-L257 HydrophobicContact CG2-CG 4.34Å
242	L	98.7	Very high	97.6	Very high	62 Å²	62	60.8 Å²	60.8	33%	0.325	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.4	-168.7	-165.6	74.2	0	0	0	112.6	L234 T252 L253 A254	L234-L242 HydrophobicContact CB-CD1 3.97Å; L234-L242 HydrophobicContact CB-CD2 3.97Å; L242-T252 HydrophobicContact CD1-CG2 3.44Å; L242-T252 VanDerWaalsContact CD1-CG2 3.44Å; L242-T252 HydrophobicContact CG-CG2 4.26Å; L242-L253 WeakPolarHBondContact CA-O 3.41Å; L242-A254 HydrophobicContact CD1-CB 4.01Å
243	S	98.6	Very high	97.6	Very high	55 Å²	55	56.4 Å²	56.4	39%	0.385	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	125.1	165.3	-173.4	0	0	0	0	110.7	L245 T252 L253	S243-L245 WeakPolarHBondContact OG-CD2 3.28Å; S243-T252 CarbonylContact O-C 3.28Å; S243-T252 WeakPolarHBondContact O-CA 3.27Å; S243-L253 PolarHBondContact N-O 2.94Å; S243-L253 PolarHBondContact O-N 3.06Å
244	M	98.5	Very high	97.7	Very high	82 Å²	82	53.4 Å²	53.4	40%	0.404	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.4	173.8	-177.1	-178.7	-68.8	0	0	109.3	V208 L209 N231	V208-M244 HydrophobicContact CB-CE 4.43Å; V208-M244 HydrophobicContact CG2-CE 4.37Å; V208-M244 HydrophobicContact CG2-CG 3.98Å; V208-M244 HydrophobicContact CG2-SD 4.36Å; L209-M244 HydrophobicContact CD2-SD 3.95Å; N231-M244 HydrophobicContact CB-CE 3.93Å; N231-M244 VanDerWaalsContact CG-CE 3.45Å; N231-M244 VanDerWaalsContact OD1-CE 3.3Å; N231-M244 WeakPolarHBondContact OD1-CE 3.42Å
245	L	97.6	Very high	97.7	Very high	44 Å²	44	55.3 Å²	55.3	23%	0.23	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.6	-170.2	-56.2	177.5	0	0	0	111.4	F88 S243 V247 G250 L251 L253	F88-L245 HydrophobicContact CE1-CD1 3.62Å; F88-L245 HydrophobicContact CZ-CD1 3.77Å; S243-L245 WeakPolarHBondContact OG-CD2 3.28Å; L245-V247 HydrophobicContact CB-CG2 4.22Å; L245-V247 PolarHBondContact O-N 2.94Å; L245-G250 WeakPolarHBondContact O-CA 3.47Å; L245-L251 WeakPolarHBondContact CB-O 3.47Å; L245-L251 PolarHBondContact N-O 3.31Å; L245-L251 PolarHBondContact O-N 3Å; L245-L253 HydrophobicContact CD1-CD1 3.82Å; L245-L253 HydrophobicContact CD1-CG 4.16Å
246	T	95	Very high	97.7	Very high	95 Å²	95	49.3 Å²	49.3	58%	0.583	25%	0.251	S	S	*	.			trans	-84.9	52.3	174.5	58.7	0	0	0	0	111.6	I37 L209	I37-T246 HydrophobicContact CD1-CG2 3.5Å; L209-T246 HydrophobicContact CD1-CG2 4.29Å
247	V	92.7	Very high	97.6	Very high	43 Å²	43	45.6 Å²	45.6	26%	0.261	25%	0.246	S	C	.	.	S	Bend	trans	-109.5	137.4	176	176.1	0	0	0	0	108.2	Q85 L245 D249 G250	Q85-V247 HydrophobicContact CB-CG1 3.77Å; Q85-V247 HydrophobicContact CG-CG1 3.95Å; L245-V247 HydrophobicContact CB-CG2 4.22Å; L245-V247 PolarHBondContact O-N 2.94Å; V247-D249 PolarHBondContact O-N 3.22Å; V247-G250 CarbonylContact O-C 3.52Å; V247-G250 VanDerWaalsContact O-CA 3.31Å; V247-G250 WeakPolarHBondContact O-CA 3.33Å; V247-G250 PolarHBondContact O-N 3.43Å
248	G	92.8	Very high	97.6	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.031	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	-122	-177.6	0	0	0	0	0	112.8	I37 S38	I37-G248 WeakPolarHBondContact CG2-O 3.27Å; S38-G248 CarbonylContact C-O 3.51Å; S38-G248 WeakPolarHBondContact CA-O 3.41Å; S38-G248 PolarHBondContact N-O 3.05Å
249	D	94.9	Very high	97.5	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.043	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	28	171	-166.3	26.2	0	0	0	112.1	N207 L209 W210 N211 V247	N207-D249 CarbonylContact C-O 3.53Å; N207-D249 VanDerWaalsContact C-O 3.28Å; N207-D249 VanDerWaalsContact CA-O 3.26Å; N207-D249 WeakPolarHBondContact CA-O 3.16Å; N207-D249 HydrophobicContact CB-CB 4.25Å; L209-D249 WeakPolarHBondContact CB-O 3.33Å; L209-D249 PolarHBondContact N-O 2.71Å; W210-D249 WeakPolarHBondContact CA-OD2 3.39Å; N211-D249 WeakPolarHBondContact CA-OD1 3.39Å; N211-D249 PolarHBondContact N-OD1 3.16Å; N211-D249 PolarHBondContact N-OD2 3.39Å; N211-D249 PolarHBondContact ND2-OD2 3.02Å; N211-D249 VanDerWaalsContact ND2-OD2 3.12Å; V247-D249 PolarHBondContact O-N 3.22Å
250	G	97	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.217	C	C	.	.			trans	97	129.9	-172	0	0	0	0	0	112	D206 N207 V208 L245 V247	D206-G250 CarbonylContact C-O 3.36Å; N207-G250 PolarHBondContact N-O 2.8Å; V208-G250 VanDerWaalsContact CG2-C 3.44Å; V208-G250 PolarHBondContact N-O 3Å; L245-G250 WeakPolarHBondContact O-CA 3.47Å; V247-G250 CarbonylContact O-C 3.52Å; V247-G250 VanDerWaalsContact O-CA 3.31Å; V247-G250 WeakPolarHBondContact O-CA 3.33Å; V247-G250 PolarHBondContact O-N 3.43Å
251	L	98.6	Very high	97.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	118.7	174.3	-178	67	0	0	0	109.4	Q85 F88 M89 F178 A204 I205 L245 L253	Q85-L251 HydrophobicContact CG-CD2 4.24Å; F88-L251 HydrophobicContact CD1-CD2 3.86Å; F88-L251 HydrophobicContact CE1-CD2 3.92Å; M89-L251 HydrophobicContact CG-CD2 4.26Å; M89-L251 HydrophobicContact SD-CD1 4.33Å; M89-L251 HydrophobicContact SD-CD2 4.5Å; F178-L251 HydrophobicContact CE2-CD1 4.34Å; A204-L251 HydrophobicContact CB-CD1 4.15Å; I205-L251 WeakPolarHBondContact O-CA 3.4Å; L245-L251 WeakPolarHBondContact CB-O 3.47Å; L245-L251 PolarHBondContact N-O 3.31Å; L245-L251 PolarHBondContact O-N 3Å; L251-L253 HydrophobicContact CD2-CD2 4.08Å; L251-L253 HydrophobicContact CG-CD2 4.17Å
252	T	98.8	Very high	97.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.3	169.7	-71.7	0	0	0	0	110.1	A204 I205 V208 L234 L242 S243	A204-T252 CarbonylContact C-O 3.46Å; A204-T252 WeakPolarHBondContact CA-O 3.49Å; I205-T252 PolarHBondContact N-O 3.27Å; I205-T252 PolarHBondContact O-N 3.11Å; V208-T252 WeakPolarHBondContact CG2-OG1 3.26Å; L234-T252 HydrophobicContact CD1-CG2 3.99Å; L242-T252 HydrophobicContact CD1-CG2 3.44Å; L242-T252 VanDerWaalsContact CD1-CG2 3.44Å; L242-T252 HydrophobicContact CG-CG2 4.26Å; S243-T252 CarbonylContact O-C 3.28Å; S243-T252 WeakPolarHBondContact O-CA 3.27Å
253	L	98.9	Very high	97.2	Very high	19 Å²	19	35.8 Å²	35.8	10%	0.099	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119	168.4	-55.2	-179.5	0	0	0	108.9	F88 L92 I202 A204 L242 S243 L245 L251	F88-L253 HydrophobicContact CE1-CD1 4.01Å; F88-L253 HydrophobicContact CZ-CD1 4Å; L92-L253 HydrophobicContact CD1-CD1 3.7Å; L92-L253 HydrophobicContact CD1-CD2 3.86Å; L92-L253 HydrophobicContact CD1-CG 4.46Å; I202-L253 HydrophobicContact CG2-CD2 4.24Å; A204-L253 HydrophobicContact CB-CD2 4Å; L242-L253 WeakPolarHBondContact CA-O 3.41Å; S243-L253 PolarHBondContact N-O 2.94Å; S243-L253 PolarHBondContact O-N 3.06Å; L245-L253 HydrophobicContact CD1-CD1 3.82Å; L245-L253 HydrophobicContact CD1-CG 4.16Å; L251-L253 HydrophobicContact CD2-CD2 4.08Å; L251-L253 HydrophobicContact CG-CD2 4.17Å
254	A	98.9	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	109.3	171.7	0	0	0	0	0	109	Y190 V203 V240 L242	Y190-A254 HydrophobicContact CE2-CB 4.23Å; V203-A254 HydrophobicContact CB-CB 4.42Å; V203-A254 PolarHBondContact N-O 3.48Å; V203-A254 PolarHBondContact O-N 3.23Å; V240-A254 HydrophobicContact CB-CB 4.16Å; V240-A254 HydrophobicContact CG1-CB 4.18Å; V240-A254 HydrophobicContact CG2-CB 4.15Å; L242-A254 HydrophobicContact CD1-CB 4.01Å
255	V	98.9	Very high	97	Very high	44 Å²	44	30.8 Å²	30.8	27%	0.267	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.7	177.9	-169.4	0	0	0	0	108.7	G201 I202 V240 T241	G201-V255 WeakPolarHBondContact O-CA 3.39Å; I202-V255 HydrophobicContact CG1-CG2 4.23Å; V240-V255 CarbonylContact C-O 3.49Å; V240-V255 WeakPolarHBondContact CA-O 3.41Å; V240-V255 WeakPolarHBondContact CB-O 3.41Å; T241-V255 PolarHBondContact N-O 2.78Å; T241-V255 PolarHBondContact O-N 3.47Å; T241-V255 WeakPolarHBondContact OG1-CB 3.49Å
256	K	98.8	Very high	96.9	Very high	24 Å²	24	29.7 Å²	29.7	10%	0.104	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	133.8	-178.4	-179	174.4	172.3	-179.6	0	111.5	E172 L194 L197 G200 G201	E172-K256 WeakPolarHBondContact OE1-CE 3.29Å; E172-K256 IonicContact OE1-NZ 3.48Å; E172-K256 PolarHBondContact OE1-NZ 3.36Å; L194-K256 HydrophobicContact CD1-CB 3.97Å; L194-K256 HydrophobicContact CD1-CD 3.91Å; L194-K256 HydrophobicContact CD1-CG 3.92Å; L194-K256 HydrophobicContact CG-CD 4.36Å; L194-K256 PolarHBondContact O-NZ 3.2Å; L197-K256 HydrophobicContact CB-CD 4.36Å; L197-K256 HydrophobicContact CD2-CB 3.75Å; L197-K256 HydrophobicContact CD2-CD 4.46Å; L197-K256 VanDerWaalsContact O-CD 3.32Å; L197-K256 WeakPolarHBondContact O-CD 3.42Å; L197-K256 PolarHBondContact O-NZ 3.49Å; G200-K256 WeakPolarHBondContact CA-O 3.34Å; G200-K256 PolarHBondContact N-O 2.88Å; G201-K256 PolarHBondContact O-N 2.99Å
257	L	97.8	Very high	97.1	Very high	120 Å²	120	23.7 Å²	23.7	63%	0.628	13%	0.13	S	C	*	.			trans	-81.5	0	178.1	-67.3	174.4	0	0	0	113.5	K199 I238 R239 T241	K199-L257 WeakPolarHBondContact CG-O 3.29Å; I238-L257 WeakPolarHBondContact O-CD1 3.22Å; R239-L257 PolarHBondContact O-N 2.62Å; T241-L257 HydrophobicContact CG2-CD2 3.57Å; T241-L257 HydrophobicContact CG2-CG 4.34Å

Retrieved 257 of 257 residues in 341.8 ms (Link to these results)

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