A0A5K4F6E3_SCHMA Loading...

DH domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F6E3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,180 aa.

						>A0A5K4F6E3_SCHMA|A0A5K4F6E3
MCDEVDSSMMNTVRVITIRPNPPSCQQNTRNPSRASDTGDRQDSDVESNEDEKSCKDHEKIRKFLDSNVSVFELIDRTSYLQQYPSWLGYCGPENKKKYTPTYINRNDNIWELVFSERGYVDMLLIVRDLYMKPFPKVDVNSVIGLSTDHLLGNTDLCTALFPCINELVASHEKIFRVLAGLHLEREDHVVPSLGAYLVQLFDPESLSSLSQLYGHFLYAQKRIRERLQACKNHARIAAFFQQVKQNPRSSRKSLEDCYMVIVQRWTKVETLLESIIRNTLNDDEEVANLEISRKAVKSIIKSSETILTEFEYTGKLREFAMLLDVSDSTTGTTMMSLSSNISSDELRLLNELKSPNAKLINHGRLYANPLVSGCGLQSSTSYEVEGVALKSCFFMLQKIPDSNRYQLFRGTEMPPILWWGKHYGYFRKSGEKASFGFYILLHSTTALTLFRCATVDELARWETIFNDGFAQWREHMDTFESLSEEFSKARDEIAEKQKRTEGILELLYQLNDKRLTFWKIWEFISSVLISERLAEMEMSTSKSESLPALTQNNSNRATIKVDVTSPPSTPNSNNNNNAQQITTMDMLKLHTFISNLDTYNDLDQLFDLFHEHFYRLSFALLSGPSSNLSRSASDVDGSKRPQINIVKKHETFSAHDSSSVASELRSSIDVGHMKSKKRDVHRLSATMASIFRTPSRDKNFTLNNQSSTDHGTNGSGINTTGSYRSIKRRQPVSSSSRTQQQLSGPPLPPRPSPTVLANFNLTGGSGAGVGVNEQLSPSSQLSFNPDSLITDASNLLISSDQPSSETLILLGVLNQIAGALFPQIQLLRTENVELRSTINKLETEQSNWKHFRNRDNQLLMRTSLNTGNGNTPHSDHINCYLMDNTKVKQETEKLRQDYENFTKKSHDWEKEYQKQRSTIEREHNKIAKERELLENERTELEYRQHQYEELRNTLQAQLNIYKKMGLKLTPVNSTELQELQGQCNSDDCNSQLNQSNSSIITNSFDDYLNELSGSNNTETNRVHSGGINDFTKPMHFYSNSDDLTGSRRTTTYHSTDLKQGYLYSPDADINPKPSLAPSGSTRSDHVPIHLRGSLVNQNNMRGQPNSPRSSDILSDNNRSNSNETSISSIGKSIPNSSSSSLFYDSNPLMKLVDHTKVRTSGSLSKSKKNYRSRSHQKDT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.4	Very low	31	Very low	197 Å²	197	104.9 Å²	104.9	97%	0.97	57%	0.573	S	S	*	*				0	-43.4	0	-85	-172.6	171.5	0	0	112	D3	M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.22Å
2	C	28	Very low	30.7	Very low	114 Å²	114	102.7 Å²	102.7	77%	0.77	57%	0.565	S	S	*	*			trans	-69.7	-25.9	174.8	-60.4	0	0	0	0	113.3
3	D	30.4	Very low	30.6	Very low	132 Å²	132	99.2 Å²	99.2	71%	0.706	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-19.3	-166.6	-39.3	-88	0	0	0	114.2	M1 V5	M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.22Å; D3-V5 VanDerWaalsContact C-N 3.33Å; D3-V5 PolarHBondContact O-N 3.14Å
4	E	26.7	Very low	30.3	Very low	138 Å²	138	107.4 Å²	107.4	65%	0.645	57%	0.567	S	S	*	*	H	α-helix	trans	-74.7	-23.6	-178.5	-71.6	169.8	105.9	0	0	112.4	S8	E4-S8 VanDerWaalsContact O-CB 3.23Å; E4-S8 WeakPolarHBondContact O-CB 3.46Å; E4-S8 PolarHBondContact O-N 2.83Å
5	V	31.9	Very low	30.1	Very low	72 Å²	72	108.3 Å²	108.3	44%	0.436	58%	0.578	S	S	.	*	H	α-helix	trans	-71.4	-38.8	-172.8	-174.3	0	0	0	0	112.3	D3 S8 M9	D3-V5 VanDerWaalsContact C-N 3.33Å; D3-V5 PolarHBondContact O-N 3.14Å; V5-S8 PolarHBondContact O-N 2.87Å; V5-M9 HydrophobicContact CG1-CE 4.1Å; V5-M9 HydrophobicContact CG1-CG 4.16Å; V5-M9 HydrophobicContact CG1-SD 3.96Å; V5-M9 WeakPolarHBondContact O-CB 3.23Å; V5-M9 WeakPolarHBondContact O-CG 3.45Å; V5-M9 PolarHBondContact O-N 3.29Å
6	D	33.1	Very low	29.7	Very low	74 Å²	74	108.9 Å²	108.9	40%	0.396	58%	0.58	S	S	.	*	H	α-helix	trans	-68.4	-40.3	177.9	-90.9	-36.7	0	0	0	112.5	S8 M9 M10 R318	D6-S8 VanDerWaalsContact C-N 3.3Å; D6-S8 PolarHBondContact O-N 3.47Å; D6-M9 PolarHBondContact O-N 2.86Å; D6-M10 PolarHBondContact O-N 3.41Å; D6-R318 IonicContact OD1-CZ 3.82Å; D6-R318 IonicContact OD1-NH1 2.74Å; D6-R318 PolarHBondContact OD1-NH1 2.84Å; D6-R318 IonicContact OD1-NH2 2.75Å; D6-R318 PolarHBondContact OD1-NH2 3.49Å; D6-R318 IonicContact OD2-CZ 2.7Å; D6-R318 VanDerWaalsContact OD2-CZ 3.31Å; D6-R318 IonicContact OD2-NH1 3.68Å; D6-R318 PolarHBondContact OD2-NH1 3.15Å; D6-R318 IonicContact OD2-NH2 3.86Å
7	S	32.4	Very low	29.6	Very low	52 Å²	52	108.5 Å²	108.5	36%	0.364	58%	0.582	S	S	.	*	H	α-helix	trans	-70.3	-29.5	175.1	-160.5	0	0	0	0	111.8	N11	S7-N11 WeakPolarHBondContact O-CB 3.32Å; S7-N11 PolarHBondContact O-ND2 3.31Å
8	S	30.2	Very low	29.5	Very low	60 Å²	60	107.1 Å²	107.1	42%	0.42	57%	0.574	S	S	.	*	H	α-helix	trans	-71.5	-45.5	172.2	-174.9	0	0	0	0	112.6	E4 V5 D6 M10 N11 T12	E4-S8 VanDerWaalsContact O-CB 3.23Å; E4-S8 WeakPolarHBondContact O-CB 3.46Å; E4-S8 PolarHBondContact O-N 2.83Å; V5-S8 PolarHBondContact O-N 2.87Å; D6-S8 VanDerWaalsContact C-N 3.3Å; D6-S8 PolarHBondContact O-N 3.47Å; S8-M10 PolarHBondContact O-N 3.22Å; S8-N11 CarbonylContact O-C 3.51Å; S8-N11 PolarHBondContact O-N 2.8Å; S8-T12 WeakPolarHBondContact O-CB 3.44Å; S8-T12 PolarHBondContact O-N 2.91Å; S8-T12 PolarHBondContact O-OG1 3.25Å; S8-T12 PolarHBondContact OG-OG1 3.39Å
9	M	34.2	Very low	29.4	Very low	109 Å²	109	112.1 Å²	112.1	54%	0.537	58%	0.584	S	S	.	*	H	α-helix	trans	-71.1	-25.7	-175.2	-77.6	-172.5	164.3	0	0	114.2	V5 D6	V5-M9 HydrophobicContact CG1-CE 4.1Å; V5-M9 HydrophobicContact CG1-CG 4.16Å; V5-M9 HydrophobicContact CG1-SD 3.96Å; V5-M9 WeakPolarHBondContact O-CB 3.23Å; V5-M9 WeakPolarHBondContact O-CG 3.45Å; V5-M9 PolarHBondContact O-N 3.29Å; D6-M9 PolarHBondContact O-N 2.86Å
10	M	35.2	Very low	29.4	Very low	96 Å²	96	112.1 Å²	112.1	47%	0.473	59%	0.591	S	S	.	*	H	α-helix	trans	-79.4	-18.8	169	-71.1	-163.2	177	0	0	113.9	D6 S8	D6-M10 PolarHBondContact O-N 3.41Å; S8-M10 PolarHBondContact O-N 3.22Å
11	N	31.9	Very low	29.5	Very low	110 Å²	110	113.8 Å²	113.8	59%	0.588	60%	0.6	S	S	*	*	H	α-helix	trans	-108.2	-7.3	-175.6	-72	-51.2	0	0	0	114.6	S7 S8 V13	S7-N11 WeakPolarHBondContact O-CB 3.32Å; S7-N11 PolarHBondContact O-ND2 3.31Å; S8-N11 CarbonylContact O-C 3.51Å; S8-N11 PolarHBondContact O-N 2.8Å; N11-V13 PolarHBondContact O-N 3.47Å
12	T	27.5	Very low	29.7	Very low	78 Å²	78	109.5 Å²	109.5	48%	0.479	59%	0.587	S	S	.	*			trans	-95.3	51	-175.9	-50.9	0	0	0	0	112.9	S8 R14	S8-T12 WeakPolarHBondContact O-CB 3.44Å; S8-T12 PolarHBondContact O-N 2.91Å; S8-T12 PolarHBondContact O-OG1 3.25Å; S8-T12 PolarHBondContact OG-OG1 3.39Å; T12-R14 VanDerWaalsContact C-N 3.31Å; T12-R14 HydrophobicContact CG2-CG 4.07Å; T12-R14 PolarHBondContact O-N 2.89Å
13	V	29.1	Very low	30.3	Very low	57 Å²	57	109.7 Å²	109.7	35%	0.345	59%	0.587	S	S	.	*			trans	-71.2	95.2	154.2	178.8	0	0	0	0	106.5	N11 V15	N11-V13 PolarHBondContact O-N 3.47Å; V13-V15 PolarHBondContact O-N 3.18Å
14	R	26.2	Very low	30.4	Very low	215 Å²	215	108.9 Å²	108.9	81%	0.811	59%	0.592	S	S	*	*			trans	-63.7	107.9	172.3	-78.7	-174.6	176.2	173.9	-0	108.2	T12 I16	T12-R14 VanDerWaalsContact C-N 3.31Å; T12-R14 HydrophobicContact CG2-CG 4.07Å; T12-R14 PolarHBondContact O-N 2.89Å; R14-I16 VanDerWaalsContact C-N 3.32Å; R14-I16 PolarHBondContact O-N 3.5Å
15	V	26.8	Very low	30.6	Very low	121 Å²	121	108 Å²	108	73%	0.733	60%	0.6	S	S	*	*			trans	-67.3	90.4	177.7	-175.1	0	0	0	0	109.1	V13 T17	V13-V15 PolarHBondContact O-N 3.18Å; V15-T17 PolarHBondContact O-N 2.9Å
16	I	24.9	Very low	30.7	Very low	117 Å²	117	113.5 Å²	113.5	60%	0.6	62%	0.62	S	S	*	*			trans	-68.1	102.2	165.9	-49.2	179.9	0	0	0	106	R14 I18 E205	R14-I16 VanDerWaalsContact C-N 3.32Å; R14-I16 PolarHBondContact O-N 3.5Å; I16-I18 PolarHBondContact O-N 2.88Å; I16-E205 VanDerWaalsContact CB-OE1 3.32Å; I16-E205 WeakPolarHBondContact CB-OE1 3.35Å; I16-E205 HydrophobicContact CD1-CG 4.48Å; I16-E205 WeakPolarHBondContact CG2-OE1 3.26Å
17	T	26.9	Very low	30.6	Very low	102 Å²	102	118.4 Å²	118.4	63%	0.626	64%	0.641	S	S	*	*			trans	-85.3	95.4	175.6	-57.5	0	0	0	0	107.1	V15 R19	V15-T17 PolarHBondContact O-N 2.9Å; T17-R19 PolarHBondContact O-N 3.49Å
18	I	28	Very low	30.7	Very low	83 Å²	83	123.9 Å²	123.9	43%	0.426	67%	0.666	S	S	.	*			trans	-56.7	103	170.2	-53.6	178.5	0	0	0	107.9	I16 E205	I16-I18 PolarHBondContact O-N 2.88Å; I18-E205 HydrophobicContact CD1-CG 4.47Å; I18-E205 WeakPolarHBondContact CD1-OE1 3.23Å; I18-E205 WeakPolarHBondContact CG1-OE1 3.46Å
19	R	27	Very low	30.9	Very low	203 Å²	203	126.2 Å²	126.2	77%	0.766	68%	0.678	S	S	*	*			trans	-82.7	130.9	161.5	-70.3	-176.1	176.1	-177.3	-0.8	107	T17 N21	T17-R19 PolarHBondContact O-N 3.49Å; R19-N21 PolarHBondContact O-N 2.81Å
20	P	31.2	Very low	30.9	Very low	111 Å²	111	132.1 Å²	132.1	72%	0.721	69%	0.694	S	S	*	*			trans	-64.4	112.5	171.8	26.4	-32.4	0	0	0	109	P22	P20-P22 WeakPolarHBondContact O-CD 3.28Å
21	N	30	Very low	31	Very low	148 Å²	148	134.9 Å²	134.9	79%	0.791	71%	0.711	S	S	*	*			trans	-70.8	124.5	173.2	-82.5	-25	0	0	0	109.3	R19	R19-N21 PolarHBondContact O-N 2.81Å
22	P	32.6	Very low	31.2	Very low	108 Å²	108	135.9 Å²	135.9	70%	0.701	72%	0.723	S	S	*	*			trans	-73.9	142.3	173.4	30.8	-33.7	0	0	0	110.5	P20 S24	P20-P22 WeakPolarHBondContact O-CD 3.28Å; P22-S24 PolarHBondContact O-N 2.88Å
23	P	40.2	Very low	31.7	Very low	117 Å²	117	137.7 Å²	137.7	76%	0.76	74%	0.739	S	S	*	*			trans	-69.1	115.3	175.9	27.9	-33.3	0	0	0	110.6	C25	P23-C25 PolarHBondContact O-N 3.33Å
24	S	32.3	Very low	32	Very low	115 Å²	115	146.8 Å²	146.8	80%	0.804	77%	0.767	S	S	*	*			trans	-79.8	77.5	-177.6	58.5	0	0	0	0	112.3	P22 Q26	P22-S24 PolarHBondContact O-N 2.88Å; S24-Q26 PolarHBondContact O-N 3.33Å
25	C	30.3	Very low	32.6	Very low	121 Å²	121	140.5 Å²	140.5	82%	0.818	76%	0.761	S	S	*	*			trans	-77.3	103.2	172.1	-166.4	0	0	0	0	110.3	P23 Q27	P23-C25 PolarHBondContact O-N 3.33Å; C25-Q27 PolarHBondContact O-N 3.47Å
26	Q	34	Very low	33.1	Very low	186 Å²	186	140.1 Å²	140.1	87%	0.869	76%	0.764	S	S	*	*			trans	-76.1	116.3	176.1	-75.4	-169.3	-9.1	0	0	111	S24	S24-Q26 PolarHBondContact O-N 3.33Å
27	Q	31.2	Very low	33.8	Very low	178 Å²	178	141.3 Å²	141.3	83%	0.832	77%	0.771	S	S	*	*			trans	-65.5	137.9	169.8	-63	173.8	-10	0	0	110.3	C25	C25-Q27 PolarHBondContact O-N 3.47Å
28	N	35.2	Very low	34.3	Very low	166 Å²	166	142.3 Å²	142.3	89%	0.888	78%	0.778	S	S	*	*			trans	-143.6	123.3	156.4	-139.6	-21.3	0	0	0	110.4
29	T	33.3	Very low	34.6	Very low	109 Å²	109	142 Å²	142	67%	0.669	79%	0.794	S	S	*	*			trans	-107	138.5	-163.1	54.6	0	0	0	0	112.5
30	R	35.9	Very low	35.1	Very low	234 Å²	234	139.6 Å²	139.6	88%	0.883	80%	0.797	S	S	*	*			trans	-167	112.8	143.5	-109.3	157.1	-167.2	-161.6	2.8	115.1
31	N	35.9	Very low	35.5	Very low	154 Å²	154	143.2 Å²	143.2	82%	0.824	80%	0.796	S	S	*	*			trans	40.5	128.2	143.6	-59	7.9	0	0	0	121.8
32	P	35.8	Very low	35.8	Very low	130 Å²	130	144 Å²	144	84%	0.844	80%	0.795	S	S	*	*			trans	-97.5	152.4	172.5	37.9	-33.5	0	0	0	114.1
33	S	38.3	Very low	36.1	Very low	116 Å²	116	144.8 Å²	144.8	81%	0.811	79%	0.793	S	S	*	*			trans	-160.6	99	161	62.1	0	0	0	0	116.6
34	R	36.4	Very low	36.1	Very low	249 Å²	249	143.7 Å²	143.7	94%	0.94	79%	0.788	S	S	*	*			trans	73.6	149	132	-152.6	174.1	-167.5	167.4	3.8	121.1
35	A	38.8	Very low	36.8	Very low	82 Å²	82	142.7 Å²	142.7	68%	0.678	77%	0.774	S	S	*	*			trans	70.8	106.2	174.6	0	0	0	0	0	114.9
36	S	37.8	Very low	37.6	Very low	113 Å²	113	142.4 Å²	142.4	79%	0.79	77%	0.768	S	S	*	*				59.9	120	75.4	72.3	0	0	0	0	112.3
37	D	37.8	Very low	38	Very low	142 Å²	142	141.8 Å²	141.8	76%	0.759	77%	0.766	S	S	*	*				-153.7	175.9	53.3	-162.4	16.7	0	0	0	114.8
38	T	38.3	Very low	38.7	Very low	124 Å²	124	136.5 Å²	136.5	76%	0.761	75%	0.748	S	S	*	*			trans	10.9	136.9	162.4	43.9	0	0	0	0	122.3
39	G	35.1	Very low	39.4	Very low	75 Å²	75	132.9 Å²	132.9	77%	0.773	73%	0.729	S	S	*	*			trans	138.7	108.8	144.4	0	0	0	0	0	117.8
40	D	36.4	Very low	40.4	Very low	154 Å²	154	134.9 Å²	134.9	82%	0.824	73%	0.731	S	S	*	*			trans	-11.2	133.1	166.2	-53.7	-34.3	0	0	0	120.1
41	R	39.8	Very low	41.5	Very low	187 Å²	187	129.9 Å²	129.9	71%	0.706	72%	0.722	S	S	*	*				-179.3	115.3	123.9	-95	147.7	-169.4	-157.9	0.8	112.2
42	Q	36.8	Very low	42.9	Very low	163 Å²	163	127.3 Å²	127.3	76%	0.762	71%	0.705	S	S	*	*			trans	-87.8	151.7	149.9	-67.8	171.2	-87.6	0	0	108.9	K968	Q42-K968 PolarHBondContact O-NZ 2.93Å
43	D	37.8	Very low	44.5	Very low	125 Å²	125	125 Å²	125	67%	0.668	68%	0.681	S	S	*	*			trans	145.2	71.3	168.1	-79.4	-19.8	0	0	0	109.2	K968	D43-K968 WeakPolarHBondContact OD2-CE 3.44Å; D43-K968 IonicContact OD2-NZ 3.51Å; D43-K968 PolarHBondContact OD2-NZ 2.8Å
44	S	41.1	Very low	46	Very low	94 Å²	94	122.1 Å²	122.1	66%	0.657	66%	0.661	S	S	*	*			trans	-152.3	5.4	-178	51	0	0	0	0	115.9	V46	S44-V46 PolarHBondContact O-N 3.17Å
45	D	45.9	Very low	47.5	Very low	95 Å²	95	114.2 Å²	114.2	51%	0.508	64%	0.643	S	S	.	*			trans	-101.1	28.7	-153.3	-50.5	-29.8	0	0	0	114.1	N49	D45-N49 PolarHBondContact O-ND2 3.21Å
46	V	48.4	Very low	49.5	Very low	114 Å²	114	114.9 Å²	114.9	69%	0.691	63%	0.631	S	S	*	*	S	Bend	trans	-106.3	-57.5	-176	-176.8	0	0	0	0	112.3	S44 S48 N49	S44-V46 PolarHBondContact O-N 3.17Å; V46-S48 PolarHBondContact O-N 3.2Å; V46-N49 PolarHBondContact O-N 3.46Å
47	E	41.2	Very low	51.5	Low	174 Å²	174	110.5 Å²	110.5	81%	0.813	60%	0.598	S	S	*	*	H	α-helix	trans	-62.4	-27.5	-177.3	-75	177.2	132.3	0	0	113.2	N49	E47-N49 VanDerWaalsContact C-N 3.29Å; E47-N49 PolarHBondContact O-N 2.93Å
48	S	47.3	Very low	53.6	Low	67 Å²	67	107.5 Å²	107.5	47%	0.469	58%	0.579	S	S	.	*	H	α-helix	trans	-68.7	-21.7	-179.6	50.1	0	0	0	0	114.7	V46 E52	V46-S48 PolarHBondContact O-N 3.2Å; S48-E52 PolarHBondContact O-N 2.88Å
49	N	49.8	Very low	55.9	Low	89 Å²	89	108.3 Å²	108.3	48%	0.476	57%	0.574	S	S	.	*	H	α-helix	trans	-82.2	-29.3	-173.9	-62.6	-51.2	0	0	0	113.5	D45 V46 E47 E52 K53	D45-N49 PolarHBondContact O-ND2 3.21Å; V46-N49 PolarHBondContact O-N 3.46Å; E47-N49 VanDerWaalsContact C-N 3.29Å; E47-N49 PolarHBondContact O-N 2.93Å; N49-E52 PolarHBondContact O-N 2.87Å; N49-K53 WeakPolarHBondContact O-CB 3.31Å; N49-K53 PolarHBondContact O-N 3.3Å
50	E	54.2	Low	58.5	Low	152 Å²	152	107.7 Å²	107.7	71%	0.71	55%	0.551	S	S	*	*	H	α-helix	trans	-71.6	-44.7	-178.8	-64.2	-169.2	172.6	0	0	111.1	E52 K53 S54	E50-E52 VanDerWaalsContact C-N 3.32Å; E50-E52 PolarHBondContact O-N 2.81Å; E50-K53 PolarHBondContact O-N 3.5Å; E50-S54 WeakPolarHBondContact O-CB 3.31Å; E50-S54 PolarHBondContact O-N 2.85Å
51	D	58.2	Low	61	Low	129 Å²	129	100.9 Å²	100.9	69%	0.69	51%	0.514	S	S	*	.	H	α-helix	trans	-58.1	-43.4	170.7	-86.6	-22.3	0	0	0	111.6	C55	D51-C55 WeakPolarHBondContact O-CB 3.41Å; D51-C55 PolarHBondContact O-N 2.85Å
52	E	65.7	Low	63.4	Low	100 Å²	100	98.5 Å²	98.5	47%	0.467	51%	0.505	S	S	.	.	H	α-helix	trans	-67.3	-38.6	179.7	-150.7	-149.8	174.4	0	0	112.1	S48 N49 E50 K56	S48-E52 PolarHBondContact O-N 2.88Å; N49-E52 PolarHBondContact O-N 2.87Å; E50-E52 VanDerWaalsContact C-N 3.32Å; E50-E52 PolarHBondContact O-N 2.81Å; E52-K56 WeakPolarHBondContact O-CB 3.3Å; E52-K56 WeakPolarHBondContact O-CD 3.42Å; E52-K56 WeakPolarHBondContact O-CG 3.34Å; E52-K56 PolarHBondContact O-N 2.76Å; E52-K56 WeakPolarHBondContact OE1-CE 3.35Å; E52-K56 IonicContact OE1-NZ 3.13Å; E52-K56 PolarHBondContact OE1-NZ 2.97Å; E52-K56 IonicContact OE2-NZ 2.78Å; E52-K56 PolarHBondContact OE2-NZ 3.24Å
53	K	68.6	Low	66.1	Low	82 Å²	82	98.4 Å²	98.4	36%	0.357	50%	0.502	S	S	.	.	H	α-helix	trans	-63.7	-50.8	174.7	-173.7	-167.8	-177.5	-165.6	0	111.3	N49 E50 C55 K56 D57 E285	N49-K53 WeakPolarHBondContact O-CB 3.31Å; N49-K53 PolarHBondContact O-N 3.3Å; E50-K53 PolarHBondContact O-N 3.5Å; K53-C55 VanDerWaalsContact C-N 3.31Å; K53-C55 PolarHBondContact O-N 3.45Å; K53-K56 PolarHBondContact O-N 3.09Å; K53-D57 PolarHBondContact O-N 3.31Å; K53-E285 IonicContact NZ-OE1 2.85Å; K53-E285 PolarHBondContact NZ-OE1 3.44Å; K53-E285 IonicContact NZ-OE2 3.96Å; K53-E285 PolarHBondContact NZ-OE2 3.44Å
54	S	69.7	Low	68.7	Low	55 Å²	55	94 Å²	94	39%	0.385	48%	0.477	S	S	.	.	H	α-helix	trans	-57.9	-43.4	177.8	-177.3	0	0	0	0	111.7	E50 D57 H58	E50-S54 WeakPolarHBondContact O-CB 3.31Å; E50-S54 PolarHBondContact O-N 2.85Å; S54-D57 PolarHBondContact O-N 3.41Å; S54-H58 WeakPolarHBondContact O-CB 3.31Å; S54-H58 PolarHBondContact O-N 2.98Å
55	C	69.1	Low	71.1	Confident	82 Å²	82	92.1 Å²	92.1	55%	0.554	46%	0.459	S	S	*	.	H	α-helix	trans	-61.6	-44.8	175.6	-169.6	0	0	0	0	112.4	D51 K53 H58 E59	D51-C55 WeakPolarHBondContact O-CB 3.41Å; D51-C55 PolarHBondContact O-N 2.85Å; K53-C55 VanDerWaalsContact C-N 3.31Å; K53-C55 PolarHBondContact O-N 3.45Å; C55-H58 PolarHBondContact O-N 3.46Å; C55-E59 PolarHBondContact O-N 3.42Å
56	K	79.7	Confident	73.1	Confident	97 Å²	97	93.2 Å²	93.2	42%	0.422	47%	0.465	S	S	.	.	H	α-helix	trans	-61.8	-42.8	177	-74.9	163.3	-178.3	170.8	0	112.4	E52 K53 E59 K60	E52-K56 WeakPolarHBondContact O-CB 3.3Å; E52-K56 WeakPolarHBondContact O-CD 3.42Å; E52-K56 WeakPolarHBondContact O-CG 3.34Å; E52-K56 PolarHBondContact O-N 2.76Å; E52-K56 WeakPolarHBondContact OE1-CE 3.35Å; E52-K56 IonicContact OE1-NZ 3.13Å; E52-K56 PolarHBondContact OE1-NZ 2.97Å; E52-K56 IonicContact OE2-NZ 2.78Å; E52-K56 PolarHBondContact OE2-NZ 3.24Å; K53-K56 PolarHBondContact O-N 3.09Å; K56-E59 PolarHBondContact O-N 3.46Å; K56-K60 WeakPolarHBondContact O-CB 3.36Å; K56-K60 WeakPolarHBondContact O-CG 3.46Å; K56-K60 PolarHBondContact O-N 2.98Å
57	D	81.1	Confident	75	Confident	21 Å²	21	89.8 Å²	89.8	11%	0.112	45%	0.447	C	S	.	.	H	α-helix	trans	-68.3	-37.3	177.6	-71.7	-24.6	0	0	0	111.7	K53 S54 K60 I61 Y197	K53-D57 PolarHBondContact O-N 3.31Å; S54-D57 PolarHBondContact O-N 3.41Å; D57-K60 PolarHBondContact O-N 3.26Å; D57-I61 PolarHBondContact O-N 3.31Å; D57-Y197 HydrophobicContact CB-CE1 4.11Å; D57-Y197 VanDerWaalsContact OD1-CZ 3.25Å; D57-Y197 PolarHBondContact OD1-OH 2.72Å
58	H	81.8	Confident	77.2	Confident	78 Å²	78	89.7 Å²	89.7	36%	0.361	45%	0.451	S	S	.	.	H	α-helix	trans	-64.6	-34.8	171.6	-89.3	-42.8	0	0	0	113.9	S54 C55 R62 Q200	S54-H58 WeakPolarHBondContact O-CB 3.31Å; S54-H58 PolarHBondContact O-N 2.98Å; C55-H58 PolarHBondContact O-N 3.46Å; H58-R62 WeakPolarHBondContact O-CG 3.37Å; H58-R62 PolarHBondContact O-N 3.14Å; H58-Q200 VanDerWaalsContact CE1-CD 3.43Å; H58-Q200 PolarHBondContact CE1-OE1 2.76Å; H58-Q200 PolarHBondContact ND1-OE1 3.29Å
59	E	86.6	Confident	79.3	Confident	141 Å²	141	87.4 Å²	87.4	66%	0.659	44%	0.435	S	S	*	.	H	α-helix	trans	-71	-42.6	172.9	-171	177.2	-165.3	0	0	111.1	C55 K56 R62 K63	C55-E59 PolarHBondContact O-N 3.42Å; K56-E59 PolarHBondContact O-N 3.46Å; E59-R62 PolarHBondContact O-N 3.23Å; E59-K63 WeakPolarHBondContact O-CB 3.2Å; E59-K63 PolarHBondContact O-N 2.65Å
60	K	88.3	Confident	81.3	Confident	63 Å²	63	85.8 Å²	85.8	27%	0.274	43%	0.43	S	S	.	.	H	α-helix	trans	-59.6	-46.4	176	-79.7	179.3	164.4	-152.2	0	113	K56 D57 R62 K63 F64 E185 Y197	K56-K60 WeakPolarHBondContact O-CB 3.36Å; K56-K60 WeakPolarHBondContact O-CG 3.46Å; K56-K60 PolarHBondContact O-N 2.98Å; D57-K60 PolarHBondContact O-N 3.26Å; K60-R62 VanDerWaalsContact C-N 3.31Å; K60-R62 PolarHBondContact O-N 3.42Å; K60-K63 WeakPolarHBondContact O-CB 3.43Å; K60-K63 PolarHBondContact O-N 3.03Å; K60-F64 HydrophobicContact CB-CE2 4.34Å; K60-F64 VanDerWaalsContact O-CD2 3.24Å; K60-F64 WeakPolarHBondContact O-CD2 3.19Å; K60-F64 WeakPolarHBondContact O-CG 3.34Å; K60-F64 PolarHBondContact O-N 3.08Å; K60-E185 IonicContact NZ-OE1 2.58Å; K60-E185 PolarHBondContact NZ-OE1 2.91Å; K60-E185 IonicContact NZ-OE2 3.4Å; K60-E185 PolarHBondContact NZ-OE2 2.94Å; K60-Y197 HydrophobicContact CB-CE1 4.01Å; K60-Y197 HydrophobicContact CD-CE1 4.4Å; K60-Y197 WeakPolarHBondContact CD-OH 3.44Å
61	I	90.6	Very high	83.2	Confident	11 Å²	11	79.2 Å²	79.2	6%	0.056	40%	0.401	C	S	.	.	H	α-helix	trans	-63.9	-38.7	-178.3	-155.5	172.5	0	0	0	111.4	D57 F64 L65 V178 Y197 Q200 L201	D57-I61 PolarHBondContact O-N 3.31Å; I61-F64 PolarHBondContact O-N 2.94Å; I61-L65 HydrophobicContact CG1-CD1 4.2Å; I61-L65 WeakPolarHBondContact O-CB 3.43Å; I61-L65 VanDerWaalsContact O-CG 3.3Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 2.81Å; I61-V178 HydrophobicContact CD1-CG1 4.2Å; I61-V178 HydrophobicContact CD1-CG2 4.11Å; I61-V178 HydrophobicContact CG1-CG1 4.02Å; I61-V178 HydrophobicContact CG1-CG2 3.63Å; I61-Y197 HydrophobicContact CB-CD1 4.29Å; I61-Y197 HydrophobicContact CG1-CD1 4.48Å; I61-Q200 HydrophobicContact CD1-CB 3.77Å; I61-Q200 VanDerWaalsContact CG2-OE1 3.29Å; I61-L201 HydrophobicContact CD1-CB 4.36Å
62	R	90.2	Very high	84.8	Confident	137 Å²	137	77 Å²	77	52%	0.517	39%	0.385	S	S	.	.	H	α-helix	trans	-61.4	-49.2	172.6	-68.9	175	-167.9	158.1	7.3	110.9	H58 E59 K60 F64 L65 D66	H58-R62 WeakPolarHBondContact O-CG 3.37Å; H58-R62 PolarHBondContact O-N 3.14Å; E59-R62 PolarHBondContact O-N 3.23Å; K60-R62 VanDerWaalsContact C-N 3.31Å; K60-R62 PolarHBondContact O-N 3.42Å; R62-F64 PolarHBondContact O-N 2.85Å; R62-F64 VanDerWaalsContact O-N 3.15Å; R62-L65 PolarHBondContact O-N 3.2Å; R62-D66 WeakPolarHBondContact O-CB 3.16Å; R62-D66 PolarHBondContact O-N 3.4Å
63	K	92.2	Very high	86.2	Confident	160 Å²	160	75.9 Å²	75.9	70%	0.696	38%	0.38	S	S	*	.	H	α-helix	trans	-55.4	-33.1	176.1	-178.1	-177.9	176.5	-176.2	0	113.3	E59 K60	E59-K63 WeakPolarHBondContact O-CB 3.2Å; E59-K63 PolarHBondContact O-N 2.65Å; K60-K63 WeakPolarHBondContact O-CB 3.43Å; K60-K63 PolarHBondContact O-N 3.03Å
64	F	92.8	Very high	87.4	Confident	32 Å²	32	72.6 Å²	72.6	14%	0.14	37%	0.366	C	S	.	.	H	α-helix	trans	-76.4	-42.2	172.9	-62	-44.6	0	0	0	112.8	K60 I61 R62 S67 R177 G181 L182	K60-F64 HydrophobicContact CB-CE2 4.34Å; K60-F64 VanDerWaalsContact O-CD2 3.24Å; K60-F64 WeakPolarHBondContact O-CD2 3.19Å; K60-F64 WeakPolarHBondContact O-CG 3.34Å; K60-F64 PolarHBondContact O-N 3.08Å; I61-F64 PolarHBondContact O-N 2.94Å; R62-F64 PolarHBondContact O-N 2.85Å; R62-F64 VanDerWaalsContact O-N 3.15Å; F64-S67 VanDerWaalsContact O-CB 3.25Å; F64-S67 WeakPolarHBondContact O-CB 3.16Å; F64-R177 WeakPolarHBondContact O-CD 3.38Å; F64-G181 VanDerWaalsContact CE1-C 3.47Å; F64-G181 VanDerWaalsContact CE1-CA 3.46Å; F64-G181 VanDerWaalsContact CZ-C 3.46Å; F64-L182 HydrophobicContact CE2-CD2 3.82Å; F64-L182 HydrophobicContact CE2-CG 4.05Å; F64-L182 HydrophobicContact CZ-CD2 4.43Å
65	L	91.2	Very high	88.6	Confident	55 Å²	55	70.5 Å²	70.5	29%	0.288	35%	0.351	S	S	.	.	H	α-helix	trans	-70.7	-43.8	-178.7	-70.4	169.5	0	0	0	113.1	I61 R62 S67 K174 V178	I61-L65 HydrophobicContact CG1-CD1 4.2Å; I61-L65 WeakPolarHBondContact O-CB 3.43Å; I61-L65 VanDerWaalsContact O-CG 3.3Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 2.81Å; R62-L65 PolarHBondContact O-N 3.2Å; L65-S67 PolarHBondContact O-N 2.9Å; L65-K174 HydrophobicContact CD2-CB 3.81Å; L65-K174 HydrophobicContact CD2-CG 4.08Å; L65-V178 HydrophobicContact CD2-CG2 3.84Å; L65-V178 HydrophobicContact CG-CG2 3.99Å
66	D	88.8	Confident	89.7	Confident	118 Å²	118	71.6 Å²	71.6	63%	0.631	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	9.2	179.5	-59.8	-37	0	0	0	112.8	R62 N68	R62-D66 WeakPolarHBondContact O-CB 3.16Å; R62-D66 PolarHBondContact O-N 3.4Å; D66-N68 PolarHBondContact O-N 2.91Å
67	S	87.4	Confident	90.4	Very high	43 Å²	43	73.1 Å²	73.1	30%	0.301	35%	0.354	S	S	.	.			trans	-70.4	117.5	-177.8	-175.7	0	0	0	0	111.9	F64 L65 V69 R177	F64-S67 VanDerWaalsContact O-CB 3.25Å; F64-S67 WeakPolarHBondContact O-CB 3.16Å; L65-S67 PolarHBondContact O-N 2.9Å; S67-V69 PolarHBondContact O-N 3.4Å; S67-V69 WeakPolarHBondContact OG-CG2 3.43Å; S67-R177 PolarHBondContact O-NE 3.15Å
68	N	88.1	Confident	91.1	Very high	171 Å²	171	72.1 Å²	72.1	91%	0.914	35%	0.348	S	S	*	.			trans	-59.9	-4.6	174.6	-71.2	-42.2	0	0	0	114.6	D66 S70	D66-N68 PolarHBondContact O-N 2.91Å; N68-S70 PolarHBondContact O-N 3.29Å
69	V	90.2	Very high	91.6	Very high	19 Å²	19	70.5 Å²	70.5	12%	0.115	35%	0.346	C	S	.	.			trans	-63.8	126.7	174.9	176.1	0	0	0	0	109.8	S67 E73 L74 R177	S67-V69 PolarHBondContact O-N 3.4Å; S67-V69 WeakPolarHBondContact OG-CG2 3.43Å; V69-E73 HydrophobicContact CG1-CB 4.07Å; V69-E73 HydrophobicContact CG1-CG 4.16Å; V69-L74 HydrophobicContact CG1-CB 4.08Å; V69-R177 PolarHBondContact O-NH2 2.86Å
70	S	93	Very high	92	Very high	55 Å²	55	64.9 Å²	64.9	39%	0.385	32%	0.319	S	S	.	.			trans	-69.9	152.8	179.1	77.1	0	0	0	0	111.4	N68 F72 E73 L74	N68-S70 PolarHBondContact O-N 3.29Å; S70-F72 PolarHBondContact O-N 2.93Å; S70-E73 PolarHBondContact O-N 3.39Å; S70-E73 VanDerWaalsContact O-N 3.14Å; S70-E73 VanDerWaalsContact OG-CB 3.26Å; S70-E73 WeakPolarHBondContact OG-CB 3.39Å; S70-E73 PolarHBondContact OG-N 2.76Å; S70-L74 PolarHBondContact O-N 2.8Å
71	V	93.1	Very high	92.2	Very high	15 Å²	15	61.9 Å²	61.9	9%	0.091	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-38.7	-179.1	-157.2	0	0	0	0	112	L74 I75 V121 L125 E173	V71-L74 PolarHBondContact O-N 2.85Å; V71-I75 HydrophobicContact CG1-CD1 4.24Å; V71-I75 WeakPolarHBondContact O-CB 3.46Å; V71-I75 WeakPolarHBondContact O-CD1 3.25Å; V71-I75 VanDerWaalsContact O-CG1 3.25Å; V71-I75 WeakPolarHBondContact O-CG1 3.39Å; V71-I75 PolarHBondContact O-N 3.42Å; V71-V121 HydrophobicContact CG1-CG1 3.67Å; V71-L125 HydrophobicContact CB-CD1 4.38Å; V71-L125 HydrophobicContact CG1-CD1 4.01Å; V71-E173 HydrophobicContact CG1-CG 4.07Å; V71-E173 HydrophobicContact CG2-CG 3.63Å; V71-E173 WeakPolarHBondContact CG2-OE1 3.35Å; V71-E173 WeakPolarHBondContact CG2-OE2 3.33Å
72	F	92.8	Very high	92.1	Very high	82 Å²	82	64.7 Å²	64.7	36%	0.36	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-47.1	176.8	-60.8	-67.7	0	0	0	111.1	S70 L74 I75 D76 L125	S70-F72 PolarHBondContact O-N 2.93Å; F72-L74 VanDerWaalsContact C-N 3.28Å; F72-L74 PolarHBondContact O-N 2.82Å; F72-I75 WeakPolarHBondContact O-CB 3.39Å; F72-I75 PolarHBondContact O-N 2.9Å; F72-I75 VanDerWaalsContact O-N 3.14Å; F72-D76 VanDerWaalsContact O-CG 3.3Å; F72-D76 PolarHBondContact O-N 3.35Å; F72-L125 HydrophobicContact CD1-CD1 4.31Å; F72-L125 HydrophobicContact CE1-CB 4.44Å; F72-L125 HydrophobicContact CE1-CD1 3.84Å; F72-L125 HydrophobicContact CZ-CD1 4.3Å; F72-L125 HydrophobicContact CZ-CD2 4.36Å
73	E	94.4	Very high	92.2	Very high	76 Å²	76	64.5 Å²	64.5	36%	0.355	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-35	175.3	-169.1	-164	159.1	0	0	112.2	V69 S70 D76 R77	V69-E73 HydrophobicContact CG1-CB 4.07Å; V69-E73 HydrophobicContact CG1-CG 4.16Å; S70-E73 PolarHBondContact O-N 3.39Å; S70-E73 VanDerWaalsContact O-N 3.14Å; S70-E73 VanDerWaalsContact OG-CB 3.26Å; S70-E73 WeakPolarHBondContact OG-CB 3.39Å; S70-E73 PolarHBondContact OG-N 2.76Å; E73-D76 PolarHBondContact O-N 3.31Å; E73-R77 WeakPolarHBondContact O-CB 3.46Å; E73-R77 WeakPolarHBondContact O-CG 3.49Å; E73-R77 PolarHBondContact O-N 2.69Å; E73-R77 IonicContact OE1-CZ 3.61Å; E73-R77 IonicContact OE1-NE 3.92Å; E73-R77 PolarHBondContact OE1-NE 3.16Å; E73-R77 IonicContact OE1-NH2 2.69Å; E73-R77 PolarHBondContact OE1-NH2 3Å
74	L	94.4	Very high	92.2	Very high	14 Å²	14	61.1 Å²	61.1	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-70	-36.9	174.7	-170.9	63.1	0	0	0	112.3	V69 S70 V71 F72 D76 T78 F176 R177 A180 L184	V69-L74 HydrophobicContact CG1-CB 4.08Å; S70-L74 PolarHBondContact O-N 2.8Å; V71-L74 PolarHBondContact O-N 2.85Å; F72-L74 VanDerWaalsContact C-N 3.28Å; F72-L74 PolarHBondContact O-N 2.82Å; L74-D76 VanDerWaalsContact C-N 3.32Å; L74-T78 WeakPolarHBondContact O-CB 3.21Å; L74-T78 WeakPolarHBondContact O-CG2 3.22Å; L74-T78 PolarHBondContact O-N 3.38Å; L74-T78 VanDerWaalsContact O-N 3.11Å; L74-T78 PolarHBondContact O-OG1 3.13Å; L74-F176 HydrophobicContact CB-CE1 4.05Å; L74-F176 HydrophobicContact CD2-CD1 3.78Å; L74-F176 HydrophobicContact CD2-CE1 3.63Å; L74-F176 HydrophobicContact CD2-CZ 4.27Å; L74-F176 HydrophobicContact CG-CD1 4.29Å; L74-F176 HydrophobicContact CG-CE1 3.62Å; L74-F176 HydrophobicContact CG-CZ 3.98Å; L74-R177 HydrophobicContact CD2-CB 4.47Å; L74-R177 HydrophobicContact CD2-CG 3.95Å; L74-A180 HydrophobicContact CD1-CB 3.8Å; L74-A180 HydrophobicContact CD2-CB 4.03Å; L74-A180 HydrophobicContact CG-CB 3.98Å; L74-L184 HydrophobicContact CD1-CD1 4.14Å
75	I	93.7	Very high	92	Very high	11 Å²	11	63.1 Å²	63.1	6%	0.056	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-40.4	170.4	-72.6	163.4	0	0	0	110	V71 F72 T78 S79 R118 V121 D122 L125 F176	V71-I75 HydrophobicContact CG1-CD1 4.24Å; V71-I75 WeakPolarHBondContact O-CB 3.46Å; V71-I75 WeakPolarHBondContact O-CD1 3.25Å; V71-I75 VanDerWaalsContact O-CG1 3.25Å; V71-I75 WeakPolarHBondContact O-CG1 3.39Å; V71-I75 PolarHBondContact O-N 3.42Å; F72-I75 WeakPolarHBondContact O-CB 3.39Å; F72-I75 PolarHBondContact O-N 2.9Å; F72-I75 VanDerWaalsContact O-N 3.14Å; I75-T78 WeakPolarHBondContact CA-OG1 3.34Å; I75-T78 CarbonylContact O-C 3.59Å; I75-T78 PolarHBondContact O-N 3.45Å; I75-T78 PolarHBondContact O-OG1 2.81Å; I75-T78 VanDerWaalsContact O-OG1 3.09Å; I75-S79 PolarHBondContact O-N 3.4Å; I75-R118 HydrophobicContact CG1-CG 4.3Å; I75-R118 PolarHBondContact O-NE 3.4Å; I75-R118 PolarHBondContact O-NH2 2.85Å; I75-V121 HydrophobicContact CD1-CG1 4.46Å; I75-D122 HydrophobicContact CD1-CB 4.12Å; I75-L125 HydrophobicContact CD1-CD1 3.69Å; I75-F176 HydrophobicContact CG1-CE1 3.83Å; I75-F176 HydrophobicContact CG1-CZ 4.28Å
76	D	93.6	Very high	92.2	Very high	105 Å²	105	61.7 Å²	61.7	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-71.6	-43.9	178.5	-66.3	-28.2	0	0	0	112.1	F72 E73 L74 T78 S79	F72-D76 VanDerWaalsContact O-CG 3.3Å; F72-D76 PolarHBondContact O-N 3.35Å; E73-D76 PolarHBondContact O-N 3.31Å; L74-D76 VanDerWaalsContact C-N 3.32Å; D76-T78 PolarHBondContact O-N 2.8Å; D76-T78 VanDerWaalsContact O-N 3.16Å; D76-S79 WeakPolarHBondContact O-CB 3.28Å; D76-S79 PolarHBondContact O-N 2.83Å; D76-S79 PolarHBondContact O-OG 3.33Å
77	R	94.9	Very high	92.6	Very high	128 Å²	128	56.2 Å²	56.2	48%	0.483	29%	0.289	S	S	.	.	H	α-helix	trans	-57.4	-26	171.6	-74.2	166.7	178.1	-127.4	7.5	112.8	E73 Y80 L184	E73-R77 WeakPolarHBondContact O-CB 3.46Å; E73-R77 WeakPolarHBondContact O-CG 3.49Å; E73-R77 PolarHBondContact O-N 2.69Å; E73-R77 IonicContact OE1-CZ 3.61Å; E73-R77 IonicContact OE1-NE 3.92Å; E73-R77 PolarHBondContact OE1-NE 3.16Å; E73-R77 IonicContact OE1-NH2 2.69Å; E73-R77 PolarHBondContact OE1-NH2 3Å; R77-Y80 WeakPolarHBondContact O-CD1 3.47Å; R77-Y80 WeakPolarHBondContact O-CE1 3.37Å; R77-L184 HydrophobicContact CB-CD1 4.28Å
78	T	95.1	Very high	92.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	15.6	177.2	53.7	0	0	0	0	113.8	L74 I75 D76 Y80 L81 R118 F176 A180 L184	L74-T78 WeakPolarHBondContact O-CB 3.21Å; L74-T78 WeakPolarHBondContact O-CG2 3.22Å; L74-T78 PolarHBondContact O-N 3.38Å; L74-T78 VanDerWaalsContact O-N 3.11Å; L74-T78 PolarHBondContact O-OG1 3.13Å; I75-T78 WeakPolarHBondContact CA-OG1 3.34Å; I75-T78 CarbonylContact O-C 3.59Å; I75-T78 PolarHBondContact O-N 3.45Å; I75-T78 PolarHBondContact O-OG1 2.81Å; I75-T78 VanDerWaalsContact O-OG1 3.09Å; D76-T78 PolarHBondContact O-N 2.8Å; D76-T78 VanDerWaalsContact O-N 3.16Å; T78-Y80 HydrophobicContact CG2-CE1 4.45Å; T78-Y80 PolarHBondContact O-N 2.83Å; T78-L81 WeakPolarHBondContact O-CB 3.46Å; T78-L81 WeakPolarHBondContact O-CG 3.2Å; T78-L81 PolarHBondContact O-N 2.77Å; T78-L81 VanDerWaalsContact O-N 3.16Å; T78-R118 PolarHBondContact O-NE 3.16Å; T78-R118 WeakPolarHBondContact OG1-CD 3.33Å; T78-R118 PolarHBondContact OG1-NE 3.49Å; T78-F176 HydrophobicContact CG2-CZ 4.33Å; T78-A180 HydrophobicContact CG2-CB 3.86Å; T78-L184 HydrophobicContact CG2-CD1 4.17Å; T78-L184 HydrophobicContact CG2-CG 4.48Å
79	S	92.9	Very high	93.1	Very high	44 Å²	44	48 Å²	48	31%	0.308	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.9	179	54.6	0	0	0	0	114.6	I75 D76 L81 Q82	I75-S79 PolarHBondContact O-N 3.4Å; D76-S79 WeakPolarHBondContact O-CB 3.28Å; D76-S79 PolarHBondContact O-N 2.83Å; D76-S79 PolarHBondContact O-OG 3.33Å; S79-L81 PolarHBondContact O-N 3.47Å; S79-L81 VanDerWaalsContact O-N 3.16Å; S79-Q82 WeakPolarHBondContact O-CB 3.18Å; S79-Q82 PolarHBondContact O-N 3.26Å
80	Y	93.4	Very high	93.3	Very high	23 Å²	23	50.6 Å²	50.6	9%	0.09	25%	0.254	C	S	.	.	H	α-helix	trans	-57	-28.2	173.8	66	-89.6	0	0	0	113.2	R77 T78 Q82 Q83 Y84 W111 H183 L184 H189	R77-Y80 WeakPolarHBondContact O-CD1 3.47Å; R77-Y80 WeakPolarHBondContact O-CE1 3.37Å; T78-Y80 HydrophobicContact CG2-CE1 4.45Å; T78-Y80 PolarHBondContact O-N 2.83Å; Y80-Q82 PolarHBondContact O-N 3.44Å; Y80-Q83 WeakPolarHBondContact O-CB 3.22Å; Y80-Q83 PolarHBondContact O-N 3.32Å; Y80-Y84 PolarHBondContact O-N 3.46Å; Y80-W111 AromaticContact CD2-CH2 3.56Å; Y80-W111 HydrophobicContact CD2-CH2 3.56Å; Y80-W111 AromaticContact CD2-CZ2 3.95Å; Y80-W111 HydrophobicContact CD2-CZ2 3.95Å; Y80-W111 HydrophobicContact CD2-CZ3 4.41Å; Y80-W111 AromaticContact CE2-CH2 3.65Å; Y80-W111 HydrophobicContact CE2-CH2 3.65Å; Y80-W111 HydrophobicContact CE2-CZ2 4.23Å; Y80-W111 HydrophobicContact CE2-CZ3 4.06Å; Y80-H183 AromaticContact CE2-CE1 3.94Å; Y80-H183 AromaticContact CE2-ND1 3.86Å; Y80-H183 AromaticContact CZ-ND1 3.73Å; Y80-H183 PolarHBondContact OH-ND1 2.78Å; Y80-L184 HydrophobicContact CE1-CD2 3.87Å; Y80-H189 AromaticContact CD2-CD2 3.85Å; Y80-H189 AromaticContact CD2-NE2 3.71Å; Y80-H189 AromaticContact CE2-CD2 3.21Å; Y80-H189 WeakPolarHBondContact CE2-CD2 3.37Å; Y80-H189 AromaticContact CE2-CE1 3.84Å; Y80-H189 AromaticContact CE2-CG 3.78Å; Y80-H189 AromaticContact CE2-NE2 3.24Å; Y80-H189 WeakPolarHBondContact CE2-NE2 3.13Å; Y80-H189 AromaticContact CZ-CD2 3.71Å; Y80-H189 AromaticContact CZ-CE1 3.52Å; Y80-H189 AromaticContact CZ-CG 3.97Å; Y80-H189 AromaticContact CZ-ND1 3.84Å; Y80-H189 AromaticContact CZ-NE2 3.4Å; Y80-H189 PolarHBondContact OH-CE1 2.92Å; Y80-H189 PolarHBondContact OH-ND1 2.87Å
81	L	94	Very high	93.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-21.6	174.1	-58.1	175.8	0	0	0	113.3	T78 S79 W111 V114 F115 H183	T78-L81 WeakPolarHBondContact O-CB 3.46Å; T78-L81 WeakPolarHBondContact O-CG 3.2Å; T78-L81 PolarHBondContact O-N 2.77Å; T78-L81 VanDerWaalsContact O-N 3.16Å; S79-L81 PolarHBondContact O-N 3.47Å; S79-L81 VanDerWaalsContact O-N 3.16Å; L81-W111 HydrophobicContact CD2-CD2 3.85Å; L81-W111 HydrophobicContact CD2-CE3 4.27Å; L81-W111 HydrophobicContact CD2-CG 4.35Å; L81-W111 HydrophobicContact CD2-CH2 4.15Å; L81-W111 HydrophobicContact CD2-CZ2 3.68Å; L81-W111 HydrophobicContact CD2-CZ3 4.43Å; L81-V114 HydrophobicContact CD1-CB 4.36Å; L81-V114 HydrophobicContact CD1-CG1 3.77Å; L81-F115 HydrophobicContact CB-CB 4.28Å; L81-F115 HydrophobicContact CB-CD2 3.73Å; L81-F115 HydrophobicContact CB-CG 4.42Å; L81-F115 HydrophobicContact CD1-CB 4.46Å; L81-F115 WeakPolarHBondContact O-CD2 3.45Å; L81-H183 VanDerWaalsContact CD2-CE1 3.49Å; L81-H183 WeakPolarHBondContact CD2-CE1 3.19Å
82	Q	88.8	Confident	93.1	Very high	70 Å²	70	49 Å²	49	33%	0.327	25%	0.246	S	C	.	.	H	α-helix	trans	-86.3	-23.8	172.2	-70.3	176.2	-60.4	0	0	112.6	S79 Y80 F115 R118 T694	S79-Q82 WeakPolarHBondContact O-CB 3.18Å; S79-Q82 PolarHBondContact O-N 3.26Å; Y80-Q82 PolarHBondContact O-N 3.44Å; Q82-F115 HydrophobicContact CG-CE2 3.91Å; Q82-R118 VanDerWaalsContact OE1-NH1 3.11Å; Q82-T694 PolarHBondContact NE2-OG1 3.41Å
83	Q	91	Very high	92.8	Very high	133 Å²	133	49.7 Å²	49.7	62%	0.621	26%	0.258	S	S	*	.	H	α-helix	trans	-79.2	-42.7	180	-59.9	177.3	7.4	0	0	111.3	Y80	Y80-Q83 WeakPolarHBondContact O-CB 3.22Å; Y80-Q83 PolarHBondContact O-N 3.32Å
84	Y	92.9	Very high	92.5	Very high	88 Å²	88	52.5 Å²	52.5	35%	0.345	27%	0.271	S	S	.	.	S	Bend	trans	-108.1	130.7	-174.4	-61	-83.8	0	0	0	112.3	Y80 S86 G89 Y90 W111	Y80-Y84 PolarHBondContact O-N 3.46Å; Y84-S86 VanDerWaalsContact C-N 3.31Å; Y84-S86 PolarHBondContact O-N 3.11Å; Y84-G89 VanDerWaalsContact CD1-O 3.29Å; Y84-G89 WeakPolarHBondContact CD1-O 3.39Å; Y84-Y90 AromaticContact CD2-CD2 3.77Å; Y84-Y90 HydrophobicContact CD2-CD2 3.77Å; Y84-Y90 AromaticContact CE2-CD2 3.85Å; Y84-Y90 HydrophobicContact CE2-CD2 3.85Å; Y84-Y90 HydrophobicContact CE2-CE2 4.49Å; Y84-Y90 HydrophobicContact CG-CD2 4.21Å; Y84-W111 PolarHBondContact O-NE1 2.92Å
85	P	89.4	Confident	92.3	Very high	74 Å²	74	54.1 Å²	54.1	48%	0.481	28%	0.28	S	S	.	.	S	Bend	trans	-77.5	-11.7	-169.1	31.3	-37.4	0	0	0	114.9	R693	P85-R693 VanDerWaalsContact CA-NH1 3.3Å; P85-R693 VanDerWaalsContact CB-NH1 3.28Å; P85-R693 PolarHBondContact O-NH1 2.99Å; P85-R693 VanDerWaalsContact O-NH1 3.09Å; P85-R693 PolarHBondContact O-NH2 3.17Å
86	S	94.8	Very high	92.1	Very high	26 Å²	26	60.1 Å²	60.1	18%	0.182	31%	0.306	C	S	.	.	S	Bend	trans	-166	175.4	175.2	88.2	0	0	0	0	109.5	Y84 L88 G89 Y90 D108	Y84-S86 VanDerWaalsContact C-N 3.31Å; Y84-S86 PolarHBondContact O-N 3.11Å; S86-L88 PolarHBondContact OG-N 3.3Å; S86-G89 WeakPolarHBondContact O-CA 3.46Å; S86-G89 PolarHBondContact O-N 2.92Å; S86-G89 PolarHBondContact OG-N 2.82Å; S86-Y90 PolarHBondContact O-N 2.91Å; S86-D108 VanDerWaalsContact CB-CG 3.47Å; S86-D108 WeakPolarHBondContact CB-OD1 3.42Å; S86-D108 VanDerWaalsContact OG-CG 3.3Å; S86-D108 PolarHBondContact OG-OD1 2.72Å; S86-D108 PolarHBondContact OG-OD2 2.71Å
87	W	96.1	Very high	92	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-43.7	175.1	177.2	84.2	0	0	0	111.9	G89 Y90 C91 Y99 Y103 I104 N107 D108 W111 D188 V190	W87-G89 PolarHBondContact O-N 3.27Å; W87-Y90 WeakPolarHBondContact O-CB 3.25Å; W87-Y90 PolarHBondContact O-N 2.82Å; W87-C91 VanDerWaalsContact CZ2-SG 3.52Å; W87-C91 PolarHBondContact O-N 3.43Å; W87-Y99 HydrophobicContact CH2-CD1 4.31Å; W87-Y99 AromaticContact CH2-CD2 3.89Å; W87-Y99 HydrophobicContact CH2-CD2 3.89Å; W87-Y99 HydrophobicContact CH2-CE1 4.18Å; W87-Y99 AromaticContact CH2-CE2 3.75Å; W87-Y99 HydrophobicContact CH2-CE2 3.75Å; W87-Y99 HydrophobicContact CH2-CG 4.18Å; W87-Y99 AromaticContact CH2-CZ 3.91Å; W87-Y99 HydrophobicContact CZ3-CD2 4.12Å; W87-Y99 HydrophobicContact CZ3-CE2 4.37Å; W87-Y99 HydrophobicContact CZ3-CG 4.42Å; W87-Y103 HydrophobicContact CH2-CD1 4.2Å; W87-Y103 AromaticContact CH2-CE1 3.64Å; W87-Y103 HydrophobicContact CH2-CE1 3.64Å; W87-Y103 HydrophobicContact CZ2-CE1 4.22Å; W87-Y103 HydrophobicContact CZ3-CD1 4.32Å; W87-Y103 HydrophobicContact CZ3-CE1 4.19Å; W87-I104 HydrophobicContact CZ3-CG1 4.48Å; W87-N107 HydrophobicContact CB-CB 3.96Å; W87-N107 HydrophobicContact CD2-CB 3.47Å; W87-N107 VanDerWaalsContact CD2-CB 3.47Å; W87-N107 HydrophobicContact CE3-CB 3.64Å; W87-N107 HydrophobicContact CG-CB 3.6Å; W87-N107 WeakPolarHBondContact CZ2-ND2 3.34Å; W87-N107 HydrophobicContact CZ3-CB 4.38Å; W87-D108 WeakPolarHBondContact CA-OD1 3.44Å; W87-D108 WeakPolarHBondContact CB-OD1 3.43Å; W87-D108 PolarHBondContact N-OD1 2.94Å; W87-W111 HydrophobicContact CB-CB 4.21Å; W87-W111 HydrophobicContact CB-CD2 4.14Å; W87-W111 HydrophobicContact CB-CE3 3.68Å; W87-W111 HydrophobicContact CB-CG 4.41Å; W87-W111 HydrophobicContact CB-CZ3 4.37Å; W87-W111 AromaticContact CD1-CE3 3.92Å; W87-W111 HydrophobicContact CG-CE3 4.23Å; W87-D188 PolarHBondContact NE1-O 2.82Å; W87-V190 HydrophobicContact CZ2-CG2 3.61Å
88	L	94.7	Very high	91.8	Very high	20 Å²	20	65.3 Å²	65.3	11%	0.105	33%	0.327	C	S	.	.	H	α-helix	trans	-62	-28.9	171	177.5	63	0	0	0	112.5	S86 G92 K96 I104 D108	S86-L88 PolarHBondContact OG-N 3.3Å; L88-G92 CarbonylContact O-C 3.42Å; L88-G92 PolarHBondContact O-N 3.24Å; L88-K96 HydrophobicContact CD1-CB 4.03Å; L88-K96 HydrophobicContact CD2-CB 4.02Å; L88-K96 HydrophobicContact CD2-CD 4.08Å; L88-K96 HydrophobicContact CD2-CG 4.02Å; L88-I104 HydrophobicContact CB-CG2 4.09Å; L88-I104 HydrophobicContact CD2-CD1 4.44Å; L88-I104 HydrophobicContact CD2-CG2 3.97Å; L88-D108 PolarHBondContact N-OD1 2.92Å
89	G	93.1	Very high	91.7	Very high	21 Å²	21	68.2 Å²	68.2	22%	0.216	34%	0.338	C	S	.	.	H	α-helix	trans	-64.9	-39.5	171.7	0	0	0	0	0	113	Y84 S86 W87	Y84-G89 VanDerWaalsContact CD1-O 3.29Å; Y84-G89 WeakPolarHBondContact CD1-O 3.39Å; S86-G89 WeakPolarHBondContact O-CA 3.46Å; S86-G89 PolarHBondContact O-N 2.92Å; S86-G89 PolarHBondContact OG-N 2.82Å; W87-G89 PolarHBondContact O-N 3.27Å
90	Y	94.1	Very high	91.7	Very high	74 Å²	74	70 Å²	70	29%	0.29	35%	0.347	S	S	.	.	H	α-helix	trans	-72	-46	176.4	171.5	-107.6	0	0	0	112.3	Y84 S86 W87 G92 W111 E187 H189	Y84-Y90 AromaticContact CD2-CD2 3.77Å; Y84-Y90 HydrophobicContact CD2-CD2 3.77Å; Y84-Y90 AromaticContact CE2-CD2 3.85Å; Y84-Y90 HydrophobicContact CE2-CD2 3.85Å; Y84-Y90 HydrophobicContact CE2-CE2 4.49Å; Y84-Y90 HydrophobicContact CG-CD2 4.21Å; S86-Y90 PolarHBondContact O-N 2.91Å; W87-Y90 WeakPolarHBondContact O-CB 3.25Å; W87-Y90 PolarHBondContact O-N 2.82Å; Y90-G92 PolarHBondContact O-N 3.35Å; Y90-W111 HydrophobicContact CD1-CH2 4.06Å; Y90-W111 HydrophobicContact CD1-CZ3 4.04Å; Y90-W111 HydrophobicContact CD2-CH2 4.09Å; Y90-W111 AromaticContact CG-CH2 3.58Å; Y90-W111 HydrophobicContact CG-CH2 3.58Å; Y90-W111 HydrophobicContact CG-CZ3 4.03Å; Y90-E187 WeakPolarHBondContact CE1-O 3.3Å; Y90-E187 PolarHBondContact OH-O 3.41Å; Y90-H189 AromaticContact CD1-CD2 3.84Å; Y90-H189 AromaticContact CE1-CD2 3.3Å; Y90-H189 WeakPolarHBondContact CE1-CD2 3.49Å; Y90-H189 AromaticContact CE1-NE2 3.86Å; Y90-H189 AromaticContact CZ-CD2 3.43Å; Y90-H189 VanDerWaalsContact CZ-CD2 3.43Å; Y90-H189 AromaticContact CZ-NE2 3.48Å; Y90-H189 PolarHBondContact OH-NE2 3.5Å
91	C	91.2	Very high	91.7	Very high	28 Å²	28	73.6 Å²	73.6	19%	0.189	37%	0.373	C	S	.	.	S	Bend	trans	-72.9	-0.5	177.1	-63.8	0	0	0	0	114.6	W87 N95	W87-C91 VanDerWaalsContact CZ2-SG 3.52Å; W87-C91 PolarHBondContact O-N 3.43Å; C91-N95 PolarHBondContact O-ND2 3.5Å
92	G	90.2	Very high	91.8	Very high	10 Å²	10	75.7 Å²	75.7	10%	0.103	39%	0.386	C	S	.	.			trans	82	131.6	-177.2	0	0	0	0	0	113.4	L88 Y90 E94 N95	L88-G92 CarbonylContact O-C 3.42Å; L88-G92 PolarHBondContact O-N 3.24Å; Y90-G92 PolarHBondContact O-N 3.35Å; G92-E94 WeakPolarHBondContact CA-OE1 3.35Å; G92-E94 PolarHBondContact O-N 2.76Å; G92-E94 VanDerWaalsContact O-N 3.16Å; G92-N95 WeakPolarHBondContact O-CB 3.35Å; G92-N95 PolarHBondContact O-N 2.76Å
93	P	86.3	Confident	92.1	Very high	96 Å²	96	76.3 Å²	76.3	62%	0.623	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-65	-20.2	-174.5	27.7	-36.2	0	0	0	113.9	N95 K96	P93-N95 VanDerWaalsContact C-N 3.29Å; P93-N95 PolarHBondContact O-N 2.84Å; P93-K96 WeakPolarHBondContact O-CB 3.29Å; P93-K96 PolarHBondContact O-N 3.2Å
94	E	89.2	Confident	92.3	Very high	134 Å²	134	70.4 Å²	70.4	63%	0.626	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-63.5	-32.4	172.4	66.6	-70.7	165.6	0	0	112.7	G92 K96	G92-E94 WeakPolarHBondContact CA-OE1 3.35Å; G92-E94 PolarHBondContact O-N 2.76Å; G92-E94 VanDerWaalsContact O-N 3.16Å; E94-K96 PolarHBondContact O-N 2.86Å; E94-K96 VanDerWaalsContact O-N 3.11Å
95	N	88.2	Confident	92.4	Very high	48 Å²	48	69.5 Å²	69.5	26%	0.257	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-70.1	-3.4	175.6	-80	-67.7	0	0	0	113.2	C91 G92 P93 K97 K98 Y99	C91-N95 PolarHBondContact O-ND2 3.5Å; G92-N95 WeakPolarHBondContact O-CB 3.35Å; G92-N95 PolarHBondContact O-N 2.76Å; P93-N95 VanDerWaalsContact C-N 3.29Å; P93-N95 PolarHBondContact O-N 2.84Å; N95-K97 PolarHBondContact O-N 3.26Å; N95-K98 VanDerWaalsContact O-CB 3.29Å; N95-K98 WeakPolarHBondContact O-CB 3.41Å; N95-K98 PolarHBondContact O-N 2.65Å; N95-K98 WeakPolarHBondContact OD1-CD 3.31Å; N95-Y99 HydrophobicContact CB-CD2 4.44Å; N95-Y99 HydrophobicContact CB-CE2 4.09Å; N95-Y99 WeakPolarHBondContact O-CD2 3.22Å
96	K	90.9	Very high	92.8	Very high	138 Å²	138	66.9 Å²	66.9	60%	0.6	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-55.3	-25	173.2	-173.8	171.9	-177.1	172.6	0	113.9	L88 P93 E94 I104	L88-K96 HydrophobicContact CD1-CB 4.03Å; L88-K96 HydrophobicContact CD2-CB 4.02Å; L88-K96 HydrophobicContact CD2-CD 4.08Å; L88-K96 HydrophobicContact CD2-CG 4.02Å; P93-K96 WeakPolarHBondContact O-CB 3.29Å; P93-K96 PolarHBondContact O-N 3.2Å; E94-K96 PolarHBondContact O-N 2.86Å; E94-K96 VanDerWaalsContact O-N 3.11Å; K96-I104 HydrophobicContact CG-CD1 4.13Å
97	K	90.5	Very high	92.9	Very high	204 Å²	204	65.8 Å²	65.8	89%	0.887	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-82.5	-15.9	176	-67.3	-177.2	179.4	178.8	0	114.1	N95	N95-K97 PolarHBondContact O-N 3.26Å
98	K	91.7	Very high	92.9	Very high	138 Å²	138	67.4 Å²	67.4	60%	0.6	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-23.7	-175.7	-175.4	-176.5	172.2	-162.6	0	112.7	N95	N95-K98 VanDerWaalsContact O-CB 3.29Å; N95-K98 WeakPolarHBondContact O-CB 3.41Å; N95-K98 PolarHBondContact O-N 2.65Å; N95-K98 WeakPolarHBondContact OD1-CD 3.31Å
99	Y	92.1	Very high	93	Very high	61 Å²	61	68 Å²	68	24%	0.239	35%	0.345	C	S	.	.	S	Bend	trans	-120.8	150.7	-172.4	-58.8	-70.6	0	0	0	111.4	W87 N95 Y103	W87-Y99 HydrophobicContact CH2-CD1 4.31Å; W87-Y99 AromaticContact CH2-CD2 3.89Å; W87-Y99 HydrophobicContact CH2-CD2 3.89Å; W87-Y99 HydrophobicContact CH2-CE1 4.18Å; W87-Y99 AromaticContact CH2-CE2 3.75Å; W87-Y99 HydrophobicContact CH2-CE2 3.75Å; W87-Y99 HydrophobicContact CH2-CG 4.18Å; W87-Y99 AromaticContact CH2-CZ 3.91Å; W87-Y99 HydrophobicContact CZ3-CD2 4.12Å; W87-Y99 HydrophobicContact CZ3-CE2 4.37Å; W87-Y99 HydrophobicContact CZ3-CG 4.42Å; N95-Y99 HydrophobicContact CB-CD2 4.44Å; N95-Y99 HydrophobicContact CB-CE2 4.09Å; N95-Y99 WeakPolarHBondContact O-CD2 3.22Å; Y99-Y103 AromaticContact CD1-CD1 3.65Å; Y99-Y103 HydrophobicContact CD1-CD1 3.65Å; Y99-Y103 AromaticContact CD1-CE1 3.54Å; Y99-Y103 HydrophobicContact CD1-CE1 3.54Å; Y99-Y103 HydrophobicContact CE1-CD1 4.45Å; Y99-Y103 AromaticContact CE1-CE1 3.89Å; Y99-Y103 HydrophobicContact CE1-CE1 3.89Å; Y99-Y103 HydrophobicContact CG-CD1 4Å; Y99-Y103 HydrophobicContact CG-CE1 4.21Å
100	T	93.7	Very high	93.2	Very high	80 Å²	80	67.1 Å²	67.1	49%	0.491	34%	0.335	S	S	.	.			trans	-69.7	151.8	175.4	62.5	0	0	0	0	110.8	T102 Y103 I104	T100-T102 PolarHBondContact O-N 3.42Å; T100-T102 PolarHBondContact OG1-OG1 2.92Å; T100-Y103 PolarHBondContact O-N 2.72Å; T100-Y103 VanDerWaalsContact OG1-CB 3.24Å; T100-Y103 WeakPolarHBondContact OG1-CB 3.34Å; T100-Y103 PolarHBondContact OG1-N 3.3Å; T100-I104 WeakPolarHBondContact O-CG1 3.28Å; T100-I104 PolarHBondContact O-N 3.14Å
101	P	94	Very high	93.3	Very high	99 Å²	99	63.7 Å²	63.7	64%	0.643	32%	0.322	S	S	*	.	H	α-helix	trans	-57.7	-32.9	176.9	-26.1	35.4	0	0	0	113.4	N105	P101-N105 WeakPolarHBondContact O-CB 3.27Å; P101-N105 PolarHBondContact O-N 2.79Å; P101-N105 PolarHBondContact O-ND2 3.37Å; P101-N105 PolarHBondContact O-OD1 3.48Å
102	T	94.4	Very high	93.6	Very high	45 Å²	45	63.3 Å²	63.3	28%	0.276	32%	0.317	S	S	.	.	H	α-helix	trans	-70.9	-44.5	176.6	44.9	0	0	0	0	111.9	T100 I104 N105 R106 N279 L281	T100-T102 PolarHBondContact O-N 3.42Å; T100-T102 PolarHBondContact OG1-OG1 2.92Å; T102-I104 PolarHBondContact O-N 2.82Å; T102-N105 PolarHBondContact O-N 2.93Å; T102-R106 PolarHBondContact O-N 2.8Å; T102-N279 WeakPolarHBondContact O-CB 3.48Å; T102-L281 HydrophobicContact CG2-CD1 4.01Å; T102-L281 WeakPolarHBondContact OG1-CD1 3.25Å
103	Y	95	Very high	93.9	Very high	83 Å²	83	63 Å²	63	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-61.1	-44.4	174.6	-174.7	-94	0	0	0	112.1	W87 Y99 T100 R106 N107	W87-Y103 HydrophobicContact CH2-CD1 4.2Å; W87-Y103 AromaticContact CH2-CE1 3.64Å; W87-Y103 HydrophobicContact CH2-CE1 3.64Å; W87-Y103 HydrophobicContact CZ2-CE1 4.22Å; W87-Y103 HydrophobicContact CZ3-CD1 4.32Å; W87-Y103 HydrophobicContact CZ3-CE1 4.19Å; Y99-Y103 AromaticContact CD1-CD1 3.65Å; Y99-Y103 HydrophobicContact CD1-CD1 3.65Å; Y99-Y103 AromaticContact CD1-CE1 3.54Å; Y99-Y103 HydrophobicContact CD1-CE1 3.54Å; Y99-Y103 HydrophobicContact CE1-CD1 4.45Å; Y99-Y103 AromaticContact CE1-CE1 3.89Å; Y99-Y103 HydrophobicContact CE1-CE1 3.89Å; Y99-Y103 HydrophobicContact CG-CD1 4Å; Y99-Y103 HydrophobicContact CG-CE1 4.21Å; T100-Y103 PolarHBondContact O-N 2.72Å; T100-Y103 VanDerWaalsContact OG1-CB 3.24Å; T100-Y103 WeakPolarHBondContact OG1-CB 3.34Å; T100-Y103 PolarHBondContact OG1-N 3.3Å; Y103-R106 PolarHBondContact O-N 2.77Å; Y103-N107 WeakPolarHBondContact CE1-ND2 3.43Å; Y103-N107 PolarHBondContact O-N 3.43Å; Y103-N107 VanDerWaalsContact O-N 3.11Å
104	I	95.6	Very high	94.4	Very high	10 Å²	10	58.5 Å²	58.5	5%	0.051	28%	0.284	C	S	.	.	H	α-helix	trans	-57.5	-51.3	173.1	-68.7	167.3	0	0	0	110.4	W87 L88 K96 T100 T102 R106 N107 D108	W87-I104 HydrophobicContact CZ3-CG1 4.48Å; L88-I104 HydrophobicContact CB-CG2 4.09Å; L88-I104 HydrophobicContact CD2-CD1 4.44Å; L88-I104 HydrophobicContact CD2-CG2 3.97Å; K96-I104 HydrophobicContact CG-CD1 4.13Å; T100-I104 WeakPolarHBondContact O-CG1 3.28Å; T100-I104 PolarHBondContact O-N 3.14Å; T102-I104 PolarHBondContact O-N 2.82Å; I104-R106 VanDerWaalsContact C-N 3.34Å; I104-R106 PolarHBondContact O-N 3.46Å; I104-N107 PolarHBondContact O-N 2.84Å; I104-D108 WeakPolarHBondContact O-CB 3.03Å; I104-D108 PolarHBondContact O-N 3.3Å
105	N	96	Very high	94.8	Very high	69 Å²	69	52.1 Å²	52.1	37%	0.369	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-43.3	178.6	-73.5	-20.8	0	0	0	111.9	P101 T102 D108 N109 N279	P101-N105 WeakPolarHBondContact O-CB 3.27Å; P101-N105 PolarHBondContact O-N 2.79Å; P101-N105 PolarHBondContact O-ND2 3.37Å; P101-N105 PolarHBondContact O-OD1 3.48Å; T102-N105 PolarHBondContact O-N 2.93Å; N105-D108 PolarHBondContact O-N 2.7Å; N105-N109 WeakPolarHBondContact O-CB 3.41Å; N105-N109 PolarHBondContact O-N 3.41Å; N105-N109 PolarHBondContact O-ND2 3.44Å; N105-N279 HydrophobicContact CB-CB 4.1Å; N105-N279 WeakPolarHBondContact CB-OD1 3.24Å; N105-N279 PolarHBondContact ND2-OD1 2.92Å
106	R	96.8	Very high	95.1	Very high	18 Å²	18	49.9 Å²	49.9	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-57.4	-53.5	179.4	-172.1	-178.6	-179.6	-92.7	0.2	110.1	T102 Y103 I104 D108 N109 I110 V191 P192 I276 N279 T280 E286	T102-R106 PolarHBondContact O-N 2.8Å; Y103-R106 PolarHBondContact O-N 2.77Å; I104-R106 VanDerWaalsContact C-N 3.34Å; I104-R106 PolarHBondContact O-N 3.46Å; R106-D108 PolarHBondContact O-N 2.85Å; R106-N109 PolarHBondContact O-N 2.84Å; R106-I110 HydrophobicContact CG-CD1 4.14Å; R106-I110 WeakPolarHBondContact O-CG1 3.4Å; R106-I110 PolarHBondContact O-N 3.11Å; R106-V191 PolarHBondContact NH1-O 2.89Å; R106-P192 PolarHBondContact NH1-O 3.5Å; R106-P192 PolarHBondContact NH2-O 3.49Å; R106-I276 HydrophobicContact CG-CG2 4.2Å; R106-N279 HydrophobicContact CB-CB 3.94Å; R106-T280 WeakPolarHBondContact CD-OG1 3.15Å; R106-T280 PolarHBondContact NE-OG1 2.89Å; R106-E286 IonicContact NH2-OE1 3.61Å; R106-E286 PolarHBondContact NH2-OE1 3.37Å
107	N	96.5	Very high	95.4	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-66.6	-38.9	-178.6	-63.4	-8.4	0	0	0	112.1	W87 Y103 I104 N109 I110 W111	W87-N107 HydrophobicContact CB-CB 3.96Å; W87-N107 HydrophobicContact CD2-CB 3.47Å; W87-N107 VanDerWaalsContact CD2-CB 3.47Å; W87-N107 HydrophobicContact CE3-CB 3.64Å; W87-N107 HydrophobicContact CG-CB 3.6Å; W87-N107 WeakPolarHBondContact CZ2-ND2 3.34Å; W87-N107 HydrophobicContact CZ3-CB 4.38Å; Y103-N107 WeakPolarHBondContact CE1-ND2 3.43Å; Y103-N107 PolarHBondContact O-N 3.43Å; Y103-N107 VanDerWaalsContact O-N 3.11Å; I104-N107 PolarHBondContact O-N 2.84Å; N107-N109 VanDerWaalsContact C-N 3.34Å; N107-N109 PolarHBondContact O-N 3.21Å; N107-I110 PolarHBondContact O-N 3.49Å; N107-W111 WeakPolarHBondContact O-CB 3.34Å; N107-W111 PolarHBondContact O-N 2.67Å
108	D	96.6	Very high	95.6	Very high	36 Å²	36	34 Å²	34	19%	0.193	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-33.6	175	-81.3	-10.1	0	0	0	112.6	S86 W87 L88 I104 N105 R106 E112	S86-D108 VanDerWaalsContact CB-CG 3.47Å; S86-D108 WeakPolarHBondContact CB-OD1 3.42Å; S86-D108 VanDerWaalsContact OG-CG 3.3Å; S86-D108 PolarHBondContact OG-OD1 2.72Å; S86-D108 PolarHBondContact OG-OD2 2.71Å; W87-D108 WeakPolarHBondContact CA-OD1 3.44Å; W87-D108 WeakPolarHBondContact CB-OD1 3.43Å; W87-D108 PolarHBondContact N-OD1 2.94Å; L88-D108 PolarHBondContact N-OD1 2.92Å; I104-D108 WeakPolarHBondContact O-CB 3.03Å; I104-D108 PolarHBondContact O-N 3.3Å; N105-D108 PolarHBondContact O-N 2.7Å; R106-D108 PolarHBondContact O-N 2.85Å; D108-E112 PolarHBondContact O-N 3.48Å; D108-E112 VanDerWaalsContact O-N 3.11Å
109	N	96.7	Very high	95.7	Very high	32 Å²	32	27.7 Å²	27.7	17%	0.171	15%	0.147	C	C	.	.	H	α-helix	trans	-76.9	-33.8	174.9	-75.9	-93.2	0	0	0	112.3	N105 R106 N107 L113 S275 I276	N105-N109 WeakPolarHBondContact O-CB 3.41Å; N105-N109 PolarHBondContact O-N 3.41Å; N105-N109 PolarHBondContact O-ND2 3.44Å; R106-N109 PolarHBondContact O-N 2.84Å; N107-N109 VanDerWaalsContact C-N 3.34Å; N107-N109 PolarHBondContact O-N 3.21Å; N109-L113 PolarHBondContact O-N 3.47Å; N109-S275 VanDerWaalsContact CG-OG 3.25Å; N109-S275 PolarHBondContact ND2-OG 2.88Å; N109-S275 WeakPolarHBondContact OD1-CB 3.46Å; N109-S275 PolarHBondContact OD1-OG 2.89Å; N109-I276 HydrophobicContact CB-CG1 3.68Å
110	I	97.2	Very high	95.9	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.015	14%	0.136	C	C	.	.	H	α-helix	trans	-65.1	-44.2	170.5	-66.4	172.9	0	0	0	109.9	R106 N107 E112 L113 V114 V191 L194 I276	R106-I110 HydrophobicContact CG-CD1 4.14Å; R106-I110 WeakPolarHBondContact O-CG1 3.4Å; R106-I110 PolarHBondContact O-N 3.11Å; N107-I110 PolarHBondContact O-N 3.49Å; I110-E112 PolarHBondContact O-N 3.44Å; I110-L113 WeakPolarHBondContact O-CA 3.49Å; I110-L113 WeakPolarHBondContact O-CB 3.1Å; I110-L113 PolarHBondContact O-N 2.9Å; I110-V114 HydrophobicContact CG2-CG2 4.43Å; I110-V114 WeakPolarHBondContact O-CG2 3.18Å; I110-V114 PolarHBondContact O-N 2.75Å; I110-V191 HydrophobicContact CG2-CB 4.3Å; I110-V191 HydrophobicContact CG2-CG2 4.16Å; I110-L194 HydrophobicContact CD1-CD2 4.36Å; I110-L194 HydrophobicContact CG1-CD2 4.01Å; I110-I276 HydrophobicContact CD1-CG2 4.25Å; I110-I276 HydrophobicContact CG1-CD1 3.85Å; I110-I276 HydrophobicContact CG1-CG1 4.01Å; I110-I276 HydrophobicContact CG1-CG2 4.09Å
111	W	97.2	Very high	96	Very high	1 Å²	1	21 Å²	21	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-56.3	-46.4	175.4	-169.5	-79.4	0	0	0	111.9	Y80 L81 Y84 W87 Y90 N107 L113 V114 F115 H183 H189	Y80-W111 AromaticContact CD2-CH2 3.56Å; Y80-W111 HydrophobicContact CD2-CH2 3.56Å; Y80-W111 AromaticContact CD2-CZ2 3.95Å; Y80-W111 HydrophobicContact CD2-CZ2 3.95Å; Y80-W111 HydrophobicContact CD2-CZ3 4.41Å; Y80-W111 AromaticContact CE2-CH2 3.65Å; Y80-W111 HydrophobicContact CE2-CH2 3.65Å; Y80-W111 HydrophobicContact CE2-CZ2 4.23Å; Y80-W111 HydrophobicContact CE2-CZ3 4.06Å; L81-W111 HydrophobicContact CD2-CD2 3.85Å; L81-W111 HydrophobicContact CD2-CE3 4.27Å; L81-W111 HydrophobicContact CD2-CG 4.35Å; L81-W111 HydrophobicContact CD2-CH2 4.15Å; L81-W111 HydrophobicContact CD2-CZ2 3.68Å; L81-W111 HydrophobicContact CD2-CZ3 4.43Å; Y84-W111 PolarHBondContact O-NE1 2.92Å; W87-W111 HydrophobicContact CB-CB 4.21Å; W87-W111 HydrophobicContact CB-CD2 4.14Å; W87-W111 HydrophobicContact CB-CE3 3.68Å; W87-W111 HydrophobicContact CB-CG 4.41Å; W87-W111 HydrophobicContact CB-CZ3 4.37Å; W87-W111 AromaticContact CD1-CE3 3.92Å; W87-W111 HydrophobicContact CG-CE3 4.23Å; Y90-W111 HydrophobicContact CD1-CH2 4.06Å; Y90-W111 HydrophobicContact CD1-CZ3 4.04Å; Y90-W111 HydrophobicContact CD2-CH2 4.09Å; Y90-W111 AromaticContact CG-CH2 3.58Å; Y90-W111 HydrophobicContact CG-CH2 3.58Å; Y90-W111 HydrophobicContact CG-CZ3 4.03Å; N107-W111 WeakPolarHBondContact O-CB 3.34Å; N107-W111 PolarHBondContact O-N 2.67Å; W111-L113 VanDerWaalsContact C-N 3.34Å; W111-L113 PolarHBondContact O-N 3.07Å; W111-V114 PolarHBondContact O-N 3.46Å; W111-F115 WeakPolarHBondContact O-CB 3.41Å; W111-F115 PolarHBondContact O-N 3.03Å; W111-H183 AromaticContact CE3-CE1 3.39Å; W111-H183 AromaticContact CE3-NE2 3.56Å; W111-H183 AromaticContact CZ3-CE1 3.68Å; W111-H189 HydrophobicContact CZ3-CB 4.04Å; W111-H189 AromaticContact CZ3-CD2 3.93Å
112	E	96.9	Very high	96	Very high	20 Å²	20	18.1 Å²	18.1	9%	0.093	9%	0.092	C	C	.	.	H	α-helix	trans	-68.1	-29.5	175.8	-178.2	61.5	-159.4	0	0	112.7	D108 I110 S116 L272 R693	D108-E112 PolarHBondContact O-N 3.48Å; D108-E112 VanDerWaalsContact O-N 3.11Å; I110-E112 PolarHBondContact O-N 3.44Å; E112-S116 WeakPolarHBondContact O-CB 3.33Å; E112-S116 PolarHBondContact O-N 3.47Å; E112-S116 PolarHBondContact O-OG 3.03Å; E112-L272 HydrophobicContact CB-CD2 4.33Å; E112-L272 HydrophobicContact CG-CD2 4Å; E112-R693 IonicContact OE2-NH2 2.86Å; E112-R693 PolarHBondContact OE2-NH2 3.42Å
113	L	97.1	Very high	96	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-65.6	-52.4	171.9	-178.6	64.2	0	0	0	111.4	N109 I110 W111 S116 E117 L179 L194 V269 L272 I276	N109-L113 PolarHBondContact O-N 3.47Å; I110-L113 WeakPolarHBondContact O-CA 3.49Å; I110-L113 WeakPolarHBondContact O-CB 3.1Å; I110-L113 PolarHBondContact O-N 2.9Å; W111-L113 VanDerWaalsContact C-N 3.34Å; W111-L113 PolarHBondContact O-N 3.07Å; L113-S116 PolarHBondContact O-N 3.44Å; L113-S116 PolarHBondContact O-OG 3.28Å; L113-E117 WeakPolarHBondContact O-CB 3.23Å; L113-E117 PolarHBondContact O-N 3.04Å; L113-L179 HydrophobicContact CD2-CD2 4.32Å; L113-L179 HydrophobicContact CG-CD1 4.28Å; L113-L194 HydrophobicContact CD2-CD2 3.95Å; L113-V269 HydrophobicContact CD1-CG1 4.27Å; L113-V269 HydrophobicContact CD1-CG2 4.47Å; L113-L272 HydrophobicContact CB-CD1 4.25Å; L113-L272 HydrophobicContact CD1-CB 4.48Å; L113-L272 HydrophobicContact CD1-CD1 3.95Å; L113-I276 HydrophobicContact CD2-CD1 4.11Å
114	V	97.2	Very high	96	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-64.1	-44.4	178.5	-173.9	0	0	0	0	110.7	L81 I110 W111 E117 R118 L179 H183	L81-V114 HydrophobicContact CD1-CB 4.36Å; L81-V114 HydrophobicContact CD1-CG1 3.77Å; I110-V114 HydrophobicContact CG2-CG2 4.43Å; I110-V114 WeakPolarHBondContact O-CG2 3.18Å; I110-V114 PolarHBondContact O-N 2.75Å; W111-V114 PolarHBondContact O-N 3.46Å; V114-E117 PolarHBondContact O-N 3.2Å; V114-R118 WeakPolarHBondContact O-CB 3.24Å; V114-R118 PolarHBondContact O-N 3.43Å; V114-L179 HydrophobicContact CG2-CB 4.29Å; V114-H183 HydrophobicContact CG1-CB 4.26Å; V114-H183 HydrophobicContact CG2-CB 4.22Å
115	F	96.2	Very high	95.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.9	-45.9	177.8	174.5	-114.4	0	0	0	112.6	L81 Q82 W111 R118 G119 F692 R693	L81-F115 HydrophobicContact CB-CB 4.28Å; L81-F115 HydrophobicContact CB-CD2 3.73Å; L81-F115 HydrophobicContact CB-CG 4.42Å; L81-F115 HydrophobicContact CD1-CB 4.46Å; L81-F115 WeakPolarHBondContact O-CD2 3.45Å; Q82-F115 HydrophobicContact CG-CE2 3.91Å; W111-F115 WeakPolarHBondContact O-CB 3.41Å; W111-F115 PolarHBondContact O-N 3.03Å; F115-R118 PolarHBondContact O-N 3.27Å; F115-G119 PolarHBondContact O-N 2.97Å; F115-F692 HydrophobicContact CE1-CB 4.02Å; F115-F692 HydrophobicContact CZ-CB 3.75Å; F115-R693 HydrophobicContact CE1-CG 3.73Å; F115-R693 HydrophobicContact CE2-CG 4.45Å; F115-R693 HydrophobicContact CZ-CB 4.44Å; F115-R693 HydrophobicContact CZ-CG 3.43Å; F115-R693 VanDerWaalsContact CZ-CG 3.43Å
116	S	95.7	Very high	95.8	Very high	2 Å²	2	9 Å²	9	1%	0.014	5%	0.047	C	C	.	.	H	α-helix	trans	-73.4	-26.8	-179.7	70.7	0	0	0	0	112.9	E112 L113 Y120 R265	E112-S116 WeakPolarHBondContact O-CB 3.33Å; E112-S116 PolarHBondContact O-N 3.47Å; E112-S116 PolarHBondContact O-OG 3.03Å; L113-S116 PolarHBondContact O-N 3.44Å; L113-S116 PolarHBondContact O-OG 3.28Å; S116-Y120 WeakPolarHBondContact O-CB 3.37Å; S116-Y120 PolarHBondContact O-N 3.36Å; S116-R265 PolarHBondContact O-NH1 3.12Å; S116-R265 PolarHBondContact OG-NH1 3.49Å; S116-R265 PolarHBondContact OG-NH2 3.31Å
117	E	96.7	Very high	95.6	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.009	4%	0.043	C	C	.	.	H	α-helix	trans	-72.1	-45.7	171	-167.8	64.9	-153.1	0	0	111.1	L113 V114 G119 Y120 V121 H172 I175 F176 L179 R265	L113-E117 WeakPolarHBondContact O-CB 3.23Å; L113-E117 PolarHBondContact O-N 3.04Å; V114-E117 PolarHBondContact O-N 3.2Å; E117-G119 VanDerWaalsContact C-N 3.31Å; E117-G119 PolarHBondContact O-N 3.07Å; E117-Y120 WeakPolarHBondContact O-CA 3.41Å; E117-Y120 WeakPolarHBondContact O-CB 3.33Å; E117-Y120 PolarHBondContact O-N 2.82Å; E117-V121 PolarHBondContact O-N 3.26Å; E117-H172 WeakPolarHBondContact OE1-CB 3.32Å; E117-H172 IonicContact OE1-CE1 3.49Å; E117-H172 IonicContact OE1-CG 3.56Å; E117-H172 IonicContact OE1-ND1 2.85Å; E117-H172 PolarHBondContact OE1-ND1 2.86Å; E117-H172 IonicContact OE2-ND1 3.23Å; E117-I175 HydrophobicContact CG-CG2 4.11Å; E117-F176 HydrophobicContact CG-CB 4.08Å; E117-F176 HydrophobicContact CG-CD2 4.49Å; E117-L179 HydrophobicContact CB-CD1 4.06Å; E117-L179 HydrophobicContact CG-CD1 4.11Å; E117-R265 IonicContact OE2-CZ 3.05Å; E117-R265 IonicContact OE2-NE 2.76Å; E117-R265 PolarHBondContact OE2-NE 3.46Å; E117-R265 IonicContact OE2-NH2 2.97Å; E117-R265 PolarHBondContact OE2-NH2 2.9Å
118	R	95.8	Very high	95.6	Very high	6 Å²	6	9.8 Å²	9.8	2%	0.023	5%	0.05	C	C	.	.	H	α-helix	trans	-52.4	-49.7	172.3	-177.7	-171.6	176.6	-88.7	9.6	111.6	I75 T78 Q82 V114 F115 Y120 V121 D122 F176	I75-R118 HydrophobicContact CG1-CG 4.3Å; I75-R118 PolarHBondContact O-NE 3.4Å; I75-R118 PolarHBondContact O-NH2 2.85Å; T78-R118 PolarHBondContact O-NE 3.16Å; T78-R118 WeakPolarHBondContact OG1-CD 3.33Å; T78-R118 PolarHBondContact OG1-NE 3.49Å; Q82-R118 VanDerWaalsContact OE1-NH1 3.11Å; V114-R118 WeakPolarHBondContact O-CB 3.24Å; V114-R118 PolarHBondContact O-N 3.43Å; F115-R118 PolarHBondContact O-N 3.27Å; R118-Y120 VanDerWaalsContact C-N 3.32Å; R118-Y120 PolarHBondContact O-N 2.91Å; R118-V121 PolarHBondContact O-N 3.44Å; R118-D122 PolarHBondContact O-N 2.96Å; R118-F176 HydrophobicContact CB-CD2 4.2Å; R118-F176 HydrophobicContact CB-CE2 3.5Å; R118-F176 HydrophobicContact CB-CZ 3.89Å; R118-F176 HydrophobicContact CG-CE2 3.91Å; R118-F176 HydrophobicContact CG-CZ 3.74Å
119	G	93.4	Very high	95.5	Very high	6 Å²	6	9.7 Å²	9.7	6%	0.062	5%	0.049	C	C	.	.	H	α-helix	trans	-65.1	-34.6	178.3	0	0	0	0	0	113	F115 E117 M123 F692	F115-G119 PolarHBondContact O-N 2.97Å; E117-G119 VanDerWaalsContact C-N 3.31Å; E117-G119 PolarHBondContact O-N 3.07Å; G119-M123 VanDerWaalsContact O-CB 3.3Å; G119-M123 WeakPolarHBondContact O-CB 3.21Å; G119-M123 PolarHBondContact O-N 3.49Å; G119-F692 VanDerWaalsContact CA-CD1 3.47Å; G119-F692 VanDerWaalsContact O-CD1 3.27Å; G119-F692 WeakPolarHBondContact O-CD1 3.41Å; G119-F692 WeakPolarHBondContact O-CE1 3.28Å
120	Y	95.3	Very high	95.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-67.6	-46.2	175.1	-173.5	-119.2	0	0	0	111.8	S116 E117 R118 M123 L124 H172 Y214 V261 I262 R265	S116-Y120 WeakPolarHBondContact O-CB 3.37Å; S116-Y120 PolarHBondContact O-N 3.36Å; E117-Y120 WeakPolarHBondContact O-CA 3.41Å; E117-Y120 WeakPolarHBondContact O-CB 3.33Å; E117-Y120 PolarHBondContact O-N 2.82Å; R118-Y120 VanDerWaalsContact C-N 3.32Å; R118-Y120 PolarHBondContact O-N 2.91Å; Y120-M123 HydrophobicContact CD2-CE 3.48Å; Y120-M123 VanDerWaalsContact CD2-CE 3.48Å; Y120-M123 HydrophobicContact CE2-CE 3.42Å; Y120-M123 VanDerWaalsContact CE2-CE 3.42Å; Y120-M123 WeakPolarHBondContact O-CB 3.18Å; Y120-M123 PolarHBondContact O-N 3.26Å; Y120-L124 HydrophobicContact CD1-CD1 4.03Å; Y120-L124 HydrophobicContact CE1-CD1 3.68Å; Y120-L124 HydrophobicContact CE1-CG 4.3Å; Y120-L124 HydrophobicContact CE2-CD2 4.39Å; Y120-L124 HydrophobicContact CE2-CG 4.45Å; Y120-L124 WeakPolarHBondContact O-CG 3.22Å; Y120-L124 PolarHBondContact O-N 3.49Å; Y120-H172 HydrophobicContact CD1-CB 4.41Å; Y120-H172 AromaticContact CD1-CG 3.93Å; Y120-H172 AromaticContact CD1-ND1 3.68Å; Y120-H172 HydrophobicContact CE1-CB 4.43Å; Y120-H172 AromaticContact CE1-CD2 3.8Å; Y120-H172 AromaticContact CE1-CE1 3.67Å; Y120-H172 AromaticContact CE1-CG 3.64Å; Y120-H172 AromaticContact CE1-ND1 3.54Å; Y120-H172 AromaticContact CE1-NE2 3.81Å; Y120-Y214 PolarHBondContact OH-OH 2.92Å; Y120-V261 HydrophobicContact CD2-CG1 3.87Å; Y120-V261 HydrophobicContact CE2-CG1 4.05Å; Y120-I262 HydrophobicContact CE2-CG1 4.14Å; Y120-I262 WeakPolarHBondContact OH-CA 3.28Å; Y120-R265 HydrophobicContact CD1-CG 3.97Å; Y120-R265 HydrophobicContact CE1-CB 4.21Å; Y120-R265 HydrophobicContact CE1-CG 3.72Å; Y120-R265 HydrophobicContact CE2-CB 4.15Å; Y120-R265 HydrophobicContact CE2-CG 4.31Å; Y120-R265 HydrophobicContact CG-CG 4.35Å
121	V	95.8	Very high	95.1	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.006	5%	0.048	C	C	.	.	H	α-helix	trans	-62.2	-46.2	176.5	173.8	0	0	0	0	111.5	V71 I75 E117 R118 M123 L124 L125 H172 F176	V71-V121 HydrophobicContact CG1-CG1 3.67Å; I75-V121 HydrophobicContact CD1-CG1 4.46Å; E117-V121 PolarHBondContact O-N 3.26Å; R118-V121 PolarHBondContact O-N 3.44Å; V121-M123 VanDerWaalsContact C-N 3.29Å; V121-M123 PolarHBondContact O-N 2.9Å; V121-L124 PolarHBondContact O-N 2.94Å; V121-L124 VanDerWaalsContact O-N 3.17Å; V121-L125 HydrophobicContact CG1-CD1 3.98Å; V121-L125 HydrophobicContact CG1-CG 4.33Å; V121-L125 VanDerWaalsContact O-CG 3.25Å; V121-L125 WeakPolarHBondContact O-CG 3.45Å; V121-L125 PolarHBondContact O-N 3.45Å; V121-H172 HydrophobicContact CG2-CB 4Å; V121-F176 HydrophobicContact CG1-CD1 4.47Å; V121-F176 HydrophobicContact CG2-CB 3.86Å; V121-F176 HydrophobicContact CG2-CG 4.29Å
122	D	93.5	Very high	95	Very high	38 Å²	38	10.7 Å²	10.7	20%	0.203	5%	0.054	C	C	.	.	H	α-helix	trans	-60.2	-39.1	174.4	-176.1	42.5	0	0	0	111.9	I75 R118 L125 I126 R249	I75-D122 HydrophobicContact CD1-CB 4.12Å; R118-D122 PolarHBondContact O-N 2.96Å; D122-L125 PolarHBondContact O-N 3.28Å; D122-I126 WeakPolarHBondContact O-CB 3.38Å; D122-I126 VanDerWaalsContact O-CD1 3.32Å; D122-I126 WeakPolarHBondContact O-CD1 3.49Å; D122-I126 VanDerWaalsContact O-CG1 3.24Å; D122-I126 WeakPolarHBondContact O-CG1 3.33Å; D122-I126 PolarHBondContact O-N 3.44Å; D122-R249 IonicContact OD1-CZ 3.78Å; D122-R249 IonicContact OD1-NE 3.65Å; D122-R249 IonicContact OD1-NH2 2.9Å; D122-R249 PolarHBondContact OD1-NH2 2.75Å
123	M	94.3	Very high	94.8	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.015	8%	0.076	C	C	.	.	H	α-helix	trans	-62.7	-42.2	174.4	-176.6	-74.9	-57.9	0	0	112.4	G119 Y120 V121 I126 V127 C258 V261 I262 F692	G119-M123 VanDerWaalsContact O-CB 3.3Å; G119-M123 WeakPolarHBondContact O-CB 3.21Å; G119-M123 PolarHBondContact O-N 3.49Å; Y120-M123 HydrophobicContact CD2-CE 3.48Å; Y120-M123 VanDerWaalsContact CD2-CE 3.48Å; Y120-M123 HydrophobicContact CE2-CE 3.42Å; Y120-M123 VanDerWaalsContact CE2-CE 3.42Å; Y120-M123 WeakPolarHBondContact O-CB 3.18Å; Y120-M123 PolarHBondContact O-N 3.26Å; V121-M123 VanDerWaalsContact C-N 3.29Å; V121-M123 PolarHBondContact O-N 2.9Å; M123-I126 WeakPolarHBondContact O-CB 3.43Å; M123-I126 PolarHBondContact O-N 3.45Å; M123-V127 WeakPolarHBondContact O-CG2 3.3Å; M123-V127 PolarHBondContact O-N 2.98Å; M123-V127 HydrophobicContact SD-CG2 3.94Å; M123-C258 HydrophobicContact CG-CB 4.49Å; M123-C258 HydrophobicContact SD-CB 3.55Å; M123-C258 VanDerWaalsContact SD-CB 3.55Å; M123-C258 VanDerWaalsContact SD-SG 3.66Å; M123-V261 HydrophobicContact CE-CB 4.45Å; M123-V261 HydrophobicContact CE-CG1 4.03Å; M123-I262 HydrophobicContact CE-CG1 3.97Å; M123-F692 HydrophobicContact CB-CE1 4.09Å
124	L	95.3	Very high	94.7	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-65.7	-40.3	174.4	-66.2	177.8	0	0	0	111.9	Y120 V121 I126 V127 R128 L168 V169 H172 I262	Y120-L124 HydrophobicContact CD1-CD1 4.03Å; Y120-L124 HydrophobicContact CE1-CD1 3.68Å; Y120-L124 HydrophobicContact CE1-CG 4.3Å; Y120-L124 HydrophobicContact CE2-CD2 4.39Å; Y120-L124 HydrophobicContact CE2-CG 4.45Å; Y120-L124 WeakPolarHBondContact O-CG 3.22Å; Y120-L124 PolarHBondContact O-N 3.49Å; V121-L124 PolarHBondContact O-N 2.94Å; V121-L124 VanDerWaalsContact O-N 3.17Å; L124-I126 VanDerWaalsContact C-N 3.3Å; L124-I126 PolarHBondContact O-N 3.46Å; L124-V127 PolarHBondContact O-N 2.94Å; L124-R128 WeakPolarHBondContact O-CB 3.45Å; L124-R128 PolarHBondContact O-N 3.08Å; L124-L168 HydrophobicContact CD1-CD2 4.25Å; L124-L168 HydrophobicContact CD1-CG 3.95Å; L124-L168 HydrophobicContact CD2-CD2 3.59Å; L124-L168 HydrophobicContact CD2-CG 4.19Å; L124-V169 HydrophobicContact CB-CG2 3.62Å; L124-H172 HydrophobicContact CD1-CB 4.13Å; L124-I262 HydrophobicContact CD2-CD1 3.85Å; L124-I262 HydrophobicContact CD2-CG1 3.89Å
125	L	94.8	Very high	94.5	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-37.5	173	-66.4	169.5	0	0	0	111.3	V71 F72 I75 V121 D122 R128 D129 V169	V71-L125 HydrophobicContact CB-CD1 4.38Å; V71-L125 HydrophobicContact CG1-CD1 4.01Å; F72-L125 HydrophobicContact CD1-CD1 4.31Å; F72-L125 HydrophobicContact CE1-CB 4.44Å; F72-L125 HydrophobicContact CE1-CD1 3.84Å; F72-L125 HydrophobicContact CZ-CD1 4.3Å; F72-L125 HydrophobicContact CZ-CD2 4.36Å; I75-L125 HydrophobicContact CD1-CD1 3.69Å; V121-L125 HydrophobicContact CG1-CD1 3.98Å; V121-L125 HydrophobicContact CG1-CG 4.33Å; V121-L125 VanDerWaalsContact O-CG 3.25Å; V121-L125 WeakPolarHBondContact O-CG 3.45Å; V121-L125 PolarHBondContact O-N 3.45Å; D122-L125 PolarHBondContact O-N 3.28Å; L125-R128 VanDerWaalsContact CD2-CZ 3.48Å; L125-R128 PolarHBondContact O-N 2.9Å; L125-D129 WeakPolarHBondContact O-CB 3.42Å; L125-D129 PolarHBondContact O-N 3.47Å; L125-V169 HydrophobicContact CD2-CG1 3.89Å
126	I	92.5	Very high	94.2	Very high	9 Å²	9	20.5 Å²	20.5	5%	0.046	10%	0.104	C	C	.	.	H	α-helix	trans	-64.4	-44.3	173.1	-75.8	155.8	0	0	0	111.5	D122 M123 L124 L130 Y131 R249	D122-I126 WeakPolarHBondContact O-CB 3.38Å; D122-I126 VanDerWaalsContact O-CD1 3.32Å; D122-I126 WeakPolarHBondContact O-CD1 3.49Å; D122-I126 VanDerWaalsContact O-CG1 3.24Å; D122-I126 WeakPolarHBondContact O-CG1 3.33Å; D122-I126 PolarHBondContact O-N 3.44Å; M123-I126 WeakPolarHBondContact O-CB 3.43Å; M123-I126 PolarHBondContact O-N 3.45Å; L124-I126 VanDerWaalsContact C-N 3.3Å; L124-I126 PolarHBondContact O-N 3.46Å; I126-L130 HydrophobicContact CG1-CD1 4.46Å; I126-L130 HydrophobicContact CG2-CD1 4.3Å; I126-L130 WeakPolarHBondContact O-CA 3.49Å; I126-L130 VanDerWaalsContact O-CB 3.32Å; I126-L130 WeakPolarHBondContact O-CB 3.15Å; I126-L130 PolarHBondContact O-N 2.82Å; I126-Y131 PolarHBondContact O-N 3.2Å; I126-R249 HydrophobicContact CD1-CB 4.38Å; I126-R249 WeakPolarHBondContact CD1-O 3.39Å; I126-R249 HydrophobicContact CG1-CB 4.26Å
127	V	94.1	Very high	93.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	I	π-helix	trans	-61.9	-47.5	175.1	175.4	0	0	0	0	110.4	M123 L124 Y131 M132 F162 I165 L255 C258	M123-V127 WeakPolarHBondContact O-CG2 3.3Å; M123-V127 PolarHBondContact O-N 2.98Å; M123-V127 HydrophobicContact SD-CG2 3.94Å; L124-V127 PolarHBondContact O-N 2.94Å; V127-Y131 WeakPolarHBondContact O-CB 3.32Å; V127-Y131 PolarHBondContact O-N 2.85Å; V127-M132 PolarHBondContact O-N 2.88Å; V127-F162 HydrophobicContact CG1-CD1 3.87Å; V127-F162 HydrophobicContact CG1-CE1 4.01Å; V127-I165 HydrophobicContact CG1-CD1 3.78Å; V127-I165 HydrophobicContact CG1-CG1 4.34Å; V127-L255 HydrophobicContact CG1-CD1 4.04Å; V127-L255 HydrophobicContact CG2-CD1 4.15Å; V127-C258 HydrophobicContact CG2-CB 3.68Å
128	R	95.2	Very high	93	Very high	40 Å²	40	30.9 Å²	30.9	15%	0.151	15%	0.151	C	C	.	.	I	π-helix	trans	-62.3	-49.3	178.7	-168.6	-168.7	68.2	-169.2	-3.4	112.7	L124 L125 M132 K133 I165 N166	L124-R128 WeakPolarHBondContact O-CB 3.45Å; L124-R128 PolarHBondContact O-N 3.08Å; L125-R128 VanDerWaalsContact CD2-CZ 3.48Å; L125-R128 PolarHBondContact O-N 2.9Å; R128-M132 HydrophobicContact CG-CE 3.69Å; R128-K133 WeakPolarHBondContact O-CB 3.5Å; R128-K133 WeakPolarHBondContact O-CG 3.29Å; R128-K133 PolarHBondContact O-N 2.8Å; R128-I165 HydrophobicContact CB-CG2 3.84Å; R128-I165 HydrophobicContact CG-CG2 4.17Å; R128-N166 WeakPolarHBondContact CD-OD1 3.26Å
129	D	94.3	Very high	92.2	Very high	33 Å²	33	35.1 Å²	35.1	18%	0.176	17%	0.174	C	C	.	.	I	π-helix	trans	-96.2	-22.5	-166	-60.8	-28.9	0	0	0	114.1	L125 K133 P134	L125-D129 WeakPolarHBondContact O-CB 3.42Å; L125-D129 PolarHBondContact O-N 3.47Å; D129-K133 WeakPolarHBondContact OD1-CD 3.5Å; D129-K133 VanDerWaalsContact OD1-CE 3.32Å; D129-K133 WeakPolarHBondContact OD1-CE 3.4Å; D129-K133 IonicContact OD1-NZ 2.72Å; D129-K133 PolarHBondContact OD1-NZ 3.2Å; D129-P134 WeakPolarHBondContact O-CD 3.5Å
130	L	92.9	Very high	91.4	Very high	30 Å²	30	36.3 Å²	36.3	16%	0.157	18%	0.18	C	C	.	.	I	π-helix	trans	-111.3	-24.7	178.9	-56.5	-176.8	0	0	0	114.4	I126 P134 F240 V244 N247 R249	I126-L130 HydrophobicContact CG1-CD1 4.46Å; I126-L130 HydrophobicContact CG2-CD1 4.3Å; I126-L130 WeakPolarHBondContact O-CA 3.49Å; I126-L130 VanDerWaalsContact O-CB 3.32Å; I126-L130 WeakPolarHBondContact O-CB 3.15Å; I126-L130 PolarHBondContact O-N 2.82Å; L130-P134 WeakPolarHBondContact O-CG 3.5Å; L130-F240 WeakPolarHBondContact O-CZ 3.22Å; L130-V244 HydrophobicContact CB-CG1 3.91Å; L130-V244 WeakPolarHBondContact O-CG2 3.47Å; L130-N247 HydrophobicContact CD1-CB 4.34Å; L130-R249 HydrophobicContact CD1-CB 3.92Å
131	Y	93.1	Very high	90.5	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	21%	0.207	C	C	.	.	I	π-helix	trans	-104.2	-48.6	177.1	-75.9	-79	0	0	0	112.9	I126 V127 F135 F240 F241 V244 K253 L255	I126-Y131 PolarHBondContact O-N 3.2Å; V127-Y131 WeakPolarHBondContact O-CB 3.32Å; V127-Y131 PolarHBondContact O-N 2.85Å; Y131-F135 WeakPolarHBondContact O-CB 3.48Å; Y131-F240 HydrophobicContact CD1-CE1 4.5Å; Y131-F240 WeakPolarHBondContact O-CZ 3.25Å; Y131-F241 AromaticContact CD1-CD1 3.97Å; Y131-F241 HydrophobicContact CD1-CD1 3.97Å; Y131-F241 HydrophobicContact CD1-CE1 4.18Å; Y131-F241 AromaticContact CE1-CD1 3.96Å; Y131-F241 HydrophobicContact CE1-CD1 3.96Å; Y131-V244 HydrophobicContact CD1-CB 4.19Å; Y131-V244 HydrophobicContact CD1-CG1 3.88Å; Y131-V244 HydrophobicContact CD1-CG2 4.3Å; Y131-V244 HydrophobicContact CD2-CG1 3.76Å; Y131-V244 HydrophobicContact CE1-CB 3.81Å; Y131-V244 HydrophobicContact CE1-CG1 3.59Å; Y131-V244 HydrophobicContact CE1-CG2 4.39Å; Y131-V244 HydrophobicContact CE2-CG1 3.49Å; Y131-V244 VanDerWaalsContact CE2-CG1 3.49Å; Y131-V244 HydrophobicContact CG-CG1 3.97Å; Y131-V244 VanDerWaalsContact CZ-CG1 3.41Å; Y131-K253 PolarHBondContact OH-O 2.94Å; Y131-L255 HydrophobicContact CD1-CB 4.15Å; Y131-L255 HydrophobicContact CD1-CD1 4.46Å; Y131-L255 HydrophobicContact CD1-CD2 3.94Å; Y131-L255 HydrophobicContact CD1-CG 4.42Å; Y131-L255 HydrophobicContact CD2-CD1 4.17Å; Y131-L255 HydrophobicContact CE1-CB 3.86Å; Y131-L255 HydrophobicContact CE1-CD2 4.44Å; Y131-L255 HydrophobicContact CE2-CB 4.45Å; Y131-L255 HydrophobicContact CG-CD1 4.11Å; Y131-L255 HydrophobicContact CG-CD2 4.24Å; Y131-L255 PolarHBondContact OH-N 3.46Å
132	M	94.1	Very high	89.8	Confident	26 Å²	26	43.9 Å²	43.9	13%	0.128	23%	0.225	C	C	.	.	I	π-helix	trans	-79.8	-60.9	-174.2	-176	-168.5	81.4	0	0	113.1	V127 R128 F135 F162 I165	V127-M132 PolarHBondContact O-N 2.88Å; R128-M132 HydrophobicContact CG-CE 3.69Å; M132-F135 WeakPolarHBondContact O-CB 3.28Å; M132-F135 PolarHBondContact O-N 2.98Å; M132-F162 HydrophobicContact CB-CB 4.17Å; M132-F162 HydrophobicContact CB-CD1 3.89Å; M132-F162 HydrophobicContact CB-CD2 3.83Å; M132-F162 HydrophobicContact CB-CE1 4.2Å; M132-F162 HydrophobicContact CB-CE2 4.18Å; M132-F162 HydrophobicContact CB-CG 3.7Å; M132-F162 HydrophobicContact CB-CZ 4.36Å; M132-F162 HydrophobicContact CG-CB 3.68Å; M132-F162 HydrophobicContact CG-CD1 4.35Å; M132-F162 HydrophobicContact CG-CD2 3.73Å; M132-F162 HydrophobicContact CG-CE2 4.48Å; M132-F162 HydrophobicContact CG-CG 3.68Å; M132-F162 HydrophobicContact SD-CB 3.83Å; M132-F162 HydrophobicContact SD-CG 4.42Å; M132-I165 HydrophobicContact SD-CB 4.11Å; M132-I165 HydrophobicContact SD-CG2 4.03Å
133	K	93.6	Very high	89.2	Confident	130 Å²	130	42.1 Å²	42.1	57%	0.565	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-42.3	-177.5	-78.4	176.8	-174.9	166.9	0	114.6	R128 D129	R128-K133 WeakPolarHBondContact O-CB 3.5Å; R128-K133 WeakPolarHBondContact O-CG 3.29Å; R128-K133 PolarHBondContact O-N 2.8Å; D129-K133 WeakPolarHBondContact OD1-CD 3.5Å; D129-K133 VanDerWaalsContact OD1-CE 3.32Å; D129-K133 WeakPolarHBondContact OD1-CE 3.4Å; D129-K133 IonicContact OD1-NZ 2.72Å; D129-K133 PolarHBondContact OD1-NZ 3.2Å
134	P	94	Very high	88.4	Confident	64 Å²	64	48.6 Å²	48.6	42%	0.416	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	16.5	177.7	36.7	-34.3	0	0	0	113.4	D129 L130 F240	D129-P134 WeakPolarHBondContact O-CD 3.5Å; L130-P134 WeakPolarHBondContact O-CG 3.5Å; P134-F240 HydrophobicContact CB-CE2 4.19Å; P134-F240 HydrophobicContact CG-CE2 4.01Å; P134-F240 HydrophobicContact CG-CZ 4.02Å; P134-F240 WeakPolarHBondContact O-CE2 3.46Å
135	F	93.3	Very high	87.6	Confident	20 Å²	20	51.3 Å²	51.3	9%	0.088	28%	0.277	C	S	.	.			trans	-57.9	132.1	-176.7	-168.8	-99.3	0	0	0	111.7	Y131 M132 K137 L157 C158 L161 F162 I237 F240 F241	Y131-F135 WeakPolarHBondContact O-CB 3.48Å; M132-F135 WeakPolarHBondContact O-CB 3.28Å; M132-F135 PolarHBondContact O-N 2.98Å; F135-K137 PolarHBondContact O-N 3.17Å; F135-L157 HydrophobicContact CE1-CB 4.42Å; F135-L157 HydrophobicContact CE1-CD2 4.25Å; F135-L157 HydrophobicContact CE1-CG 4.15Å; F135-L157 HydrophobicContact CZ-CD2 4.25Å; F135-L157 HydrophobicContact CZ-CG 4.23Å; F135-C158 HydrophobicContact CD1-CB 4.02Å; F135-C158 HydrophobicContact CG-CB 4.48Å; F135-L161 HydrophobicContact CE1-CD1 4.49Å; F135-L161 HydrophobicContact CE2-CD1 3.8Å; F135-L161 HydrophobicContact CZ-CD1 3.61Å; F135-F162 HydrophobicContact CB-CE2 4.4Å; F135-F162 AromaticContact CD2-CE2 3.69Å; F135-F162 HydrophobicContact CD2-CE2 3.69Å; F135-F162 HydrophobicContact CD2-CZ 4.14Å; F135-F162 HydrophobicContact CE2-CE2 4.2Å; F135-F162 HydrophobicContact CG-CE2 4.13Å; F135-I237 HydrophobicContact CE2-CG2 4.06Å; F135-I237 HydrophobicContact CZ-CD1 4.18Å; F135-I237 HydrophobicContact CZ-CG1 4.43Å; F135-I237 HydrophobicContact CZ-CG2 4.13Å; F135-F240 HydrophobicContact CD2-CD1 4.46Å; F135-F240 AromaticContact CD2-CE1 3.93Å; F135-F240 HydrophobicContact CD2-CE1 3.93Å; F135-F241 HydrophobicContact CE2-CE1 4.02Å; F135-F241 HydrophobicContact CE2-CZ 4.17Å
136	P	90.4	Very high	86.8	Confident	17 Å²	17	51.7 Å²	51.7	11%	0.11	28%	0.279	C	S	.	.			trans	-61.9	119.8	-178.6	-24.7	33.9	0	0	0	112.4	V138 R236 F240	P136-V138 HydrophobicContact CB-CG2 4.05Å; P136-V138 WeakPolarHBondContact O-CG2 3.21Å; P136-V138 PolarHBondContact O-N 3.04Å; P136-R236 HydrophobicContact CB-CG 4.48Å; P136-F240 VanDerWaalsContact CD-CD1 3.44Å; P136-F240 HydrophobicContact CG-CB 3.62Å; P136-F240 HydrophobicContact CG-CD1 3.93Å; P136-F240 HydrophobicContact CG-CD2 4.01Å; P136-F240 HydrophobicContact CG-CG 3.58Å
137	K	85.5	Confident	85.2	Confident	195 Å²	195	54.4 Å²	54.4	85%	0.848	30%	0.298	S	S	*	.			trans	-60.4	110.3	167.5	-65.8	-168.6	177.9	-170.5	0	109.5	F135 R236	F135-K137 PolarHBondContact O-N 3.17Å; K137-R236 PolarHBondContact O-NH1 3.12Å
138	V	82.2	Confident	83.5	Confident	28 Å²	28	60.5 Å²	60.5	17%	0.17	34%	0.336	C	S	.	.			trans	-138.8	139.4	-173.9	167.2	0	0	0	0	107.4	P136 S142 V143 H234 I237	P136-V138 HydrophobicContact CB-CG2 4.05Å; P136-V138 WeakPolarHBondContact O-CG2 3.21Å; P136-V138 PolarHBondContact O-N 3.04Å; V138-S142 WeakPolarHBondContact CG1-OG 3.44Å; V138-V143 HydrophobicContact CG1-CG2 3.96Å; V138-H234 WeakPolarHBondContact CG1-CE1 3.41Å; V138-I237 HydrophobicContact CB-CD1 4.32Å; V138-I237 HydrophobicContact CG1-CD1 4.15Å; V138-I237 HydrophobicContact CG2-CD1 4.33Å; V138-I237 HydrophobicContact CG2-CG1 4.16Å
139	D	77.7	Confident	82	Confident	95 Å²	95	60.7 Å²	60.7	51%	0.508	34%	0.34	S	S	.	.			trans	-69	129.9	172.8	178.4	4.5	0	0	0	109.9	N141 S142	D139-N141 PolarHBondContact O-N 3.35Å; D139-N141 WeakPolarHBondContact OD1-CB 3.39Å; D139-N141 PolarHBondContact OD1-N 3.3Å; D139-N141 PolarHBondContact OD1-ND2 2.65Å; D139-S142 PolarHBondContact O-N 3.14Å; D139-S142 PolarHBondContact O-OG 3.14Å; D139-S142 VanDerWaalsContact O-OG 3.11Å
140	V	77	Confident	80.3	Confident	30 Å²	30	66.6 Å²	66.6	18%	0.182	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-52.4	-38.1	175.9	178	0	0	0	0	110.8	S142 V143 L146 L152 L157	V140-S142 PolarHBondContact O-N 2.91Å; V140-V143 PolarHBondContact O-N 3.14Å; V140-L146 HydrophobicContact CG1-CB 4.12Å; V140-L152 HydrophobicContact CB-CD2 4.42Å; V140-L152 HydrophobicContact CG1-CD2 3.88Å; V140-L152 HydrophobicContact CG2-CD2 3.58Å; V140-L157 HydrophobicContact CG2-CB 4.3Å
141	N	77.1	Confident	78.7	Confident	107 Å²	107	68.5 Å²	68.5	57%	0.572	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-65.6	-24.9	-177.1	-60.7	-73.5	0	0	0	113.1	D139 V143 S147	D139-N141 PolarHBondContact O-N 3.35Å; D139-N141 WeakPolarHBondContact OD1-CB 3.39Å; D139-N141 PolarHBondContact OD1-N 3.3Å; D139-N141 PolarHBondContact OD1-ND2 2.65Å; N141-V143 VanDerWaalsContact C-N 3.29Å; N141-S147 PolarHBondContact O-OG 2.86Å
142	S	80.9	Confident	77.2	Confident	54 Å²	54	68.9 Å²	68.9	38%	0.378	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-80.3	-9.2	176.1	82.9	0	0	0	0	113.5	V138 D139 V140 I144 H234	V138-S142 WeakPolarHBondContact CG1-OG 3.44Å; D139-S142 PolarHBondContact O-N 3.14Å; D139-S142 PolarHBondContact O-OG 3.14Å; D139-S142 VanDerWaalsContact O-OG 3.11Å; V140-S142 PolarHBondContact O-N 2.91Å; S142-I144 PolarHBondContact O-N 2.98Å; S142-H234 PolarHBondContact O-CD2 3.25Å; S142-H234 VanDerWaalsContact O-CD2 3.29Å; S142-H234 PolarHBondContact OG-NE2 3.42Å; S142-H234 VanDerWaalsContact OG-NE2 3.08Å
143	V	81.6	Confident	75.7	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	40%	0.4	C	S	.	.	S	Bend	trans	-93	96.2	177.6	-173.5	0	0	0	0	109.6	V138 V140 N141 G145 L146 L157 A230 H234 I237	V138-V143 HydrophobicContact CG1-CG2 3.96Å; V140-V143 PolarHBondContact O-N 3.14Å; N141-V143 VanDerWaalsContact C-N 3.29Å; V143-G145 PolarHBondContact O-N 2.94Å; V143-G145 VanDerWaalsContact O-N 3.16Å; V143-L146 HydrophobicContact CB-CB 4.41Å; V143-L146 HydrophobicContact CB-CD1 4.21Å; V143-L146 HydrophobicContact CB-CG 4.45Å; V143-L146 HydrophobicContact CG1-CB 4.48Å; V143-L146 HydrophobicContact CG1-CD1 3.77Å; V143-L146 HydrophobicContact CG1-CG 4.01Å; V143-L146 PolarHBondContact O-N 3Å; V143-L157 HydrophobicContact CG2-CD2 4.05Å; V143-A230 HydrophobicContact CG1-CB 3.95Å; V143-H234 HydrophobicContact CG1-CB 4.33Å; V143-H234 HydrophobicContact CG2-CB 4.2Å; V143-I237 HydrophobicContact CG2-CD1 4.13Å
144	I	77.8	Confident	74.1	Confident	140 Å²	140	72 Å²	72	72%	0.718	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	121.2	179.4	-57.4	175.2	0	0	0	110.1	S142	S142-I144 PolarHBondContact O-N 2.98Å
145	G	76.6	Confident	73	Confident	57 Å²	57	70.6 Å²	70.6	59%	0.588	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.1	-11.1	-176.9	0	0	0	0	0	115	V143	V143-G145 PolarHBondContact O-N 2.94Å; V143-G145 VanDerWaalsContact O-N 3.16Å
146	L	77.9	Confident	72.4	Confident	10 Å²	10	73.7 Å²	73.7	5%	0.052	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-11.2	174.4	-61.1	-173.8	0	0	0	114.2	V140 V143 T148 D149 L157 R227 A230	V140-L146 HydrophobicContact CG1-CB 4.12Å; V143-L146 HydrophobicContact CB-CB 4.41Å; V143-L146 HydrophobicContact CB-CD1 4.21Å; V143-L146 HydrophobicContact CB-CG 4.45Å; V143-L146 HydrophobicContact CG1-CB 4.48Å; V143-L146 HydrophobicContact CG1-CD1 3.77Å; V143-L146 HydrophobicContact CG1-CG 4.01Å; V143-L146 PolarHBondContact O-N 3Å; L146-T148 PolarHBondContact O-N 2.69Å; L146-D149 PolarHBondContact O-N 3.4Å; L146-L157 HydrophobicContact CD1-CD1 3.69Å; L146-R227 HydrophobicContact CD1-CB 4.36Å; L146-R227 HydrophobicContact CD1-CG 4.26Å; L146-R227 HydrophobicContact CD2-CB 4.36Å; L146-R227 HydrophobicContact CD2-CG 3.75Å; L146-A230 HydrophobicContact CD1-CB 4.21Å; L146-A230 HydrophobicContact CD2-CB 4.04Å; L146-A230 HydrophobicContact CG-CB 3.78Å
147	S	60.9	Low	72.2	Confident	65 Å²	65	73.2 Å²	73.2	46%	0.455	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-8	179.1	-33.9	0	0	0	0	115	N141	N141-S147 PolarHBondContact O-OG 2.86Å
148	T	57.9	Low	72.4	Confident	129 Å²	129	65.1 Å²	65.1	79%	0.791	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	12	177.1	60.7	0	0	0	0	113.2	L146 H150	L146-T148 PolarHBondContact O-N 2.69Å; T148-H150 PolarHBondContact O-N 3.14Å
149	D	62.4	Low	72.7	Confident	43 Å²	43	67.3 Å²	67.3	23%	0.23	40%	0.401	C	S	.	.			trans	-77.7	88.7	173.4	-173.2	-7.4	0	0	0	109.6	L146 L151 L152 R227	L146-D149 PolarHBondContact O-N 3.4Å; D149-L151 PolarHBondContact O-N 2.75Å; D149-L151 WeakPolarHBondContact OD1-CA 3.29Å; D149-L151 WeakPolarHBondContact OD1-CB 3.48Å; D149-L151 PolarHBondContact OD1-N 2.71Å; D149-L152 HydrophobicContact CB-CD1 3.8Å; D149-L152 PolarHBondContact O-N 3.15Å; D149-L152 VanDerWaalsContact OD2-CD1 3.22Å; D149-L152 WeakPolarHBondContact OD2-CD1 3.46Å; D149-R227 IonicContact OD1-NH2 3.21Å; D149-R227 PolarHBondContact OD1-NH2 2.89Å; D149-R227 IonicContact OD2-CZ 3.92Å; D149-R227 VanDerWaalsContact OD2-CZ 3.23Å; D149-R227 IonicContact OD2-NE 2.87Å; D149-R227 PolarHBondContact OD2-NE 3.16Å; D149-R227 IonicContact OD2-NH2 2.98Å; D149-R227 PolarHBondContact OD2-NH2 3.43Å
150	H	59.8	Low	73.1	Confident	158 Å²	158	63.2 Å²	63.2	73%	0.731	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-15.6	177	-161.5	-45.8	0	0	0	112.7	T148	T148-H150 PolarHBondContact O-N 3.14Å
151	L	58.1	Low	73.7	Confident	70 Å²	70	61.8 Å²	61.8	37%	0.366	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	12.8	174.4	-74.1	80	0	0	0	113.4	D149 R227	D149-L151 PolarHBondContact O-N 2.75Å; D149-L151 WeakPolarHBondContact OD1-CA 3.29Å; D149-L151 WeakPolarHBondContact OD1-CB 3.48Å; D149-L151 PolarHBondContact OD1-N 2.71Å; L151-R227 PolarHBondContact O-NH2 3.33Å
152	L	63.1	Low	74.4	Confident	8 Å²	8	57.1 Å²	57.1	4%	0.042	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-51.9	147.5	-88.5	91.4	0	0	0	109.8	V140 D149 N154 T155 L157 A160	V140-L152 HydrophobicContact CB-CD2 4.42Å; V140-L152 HydrophobicContact CG1-CD2 3.88Å; V140-L152 HydrophobicContact CG2-CD2 3.58Å; D149-L152 HydrophobicContact CB-CD1 3.8Å; D149-L152 PolarHBondContact O-N 3.15Å; D149-L152 VanDerWaalsContact OD2-CD1 3.22Å; D149-L152 WeakPolarHBondContact OD2-CD1 3.46Å; L152-N154 PolarHBondContact O-N 3.44Å; L152-T155 WeakPolarHBondContact O-CB 3.4Å; L152-T155 PolarHBondContact O-N 2.81Å; L152-T155 PolarHBondContact O-OG1 2.68Å; L152-L157 HydrophobicContact CD2-CB 4.47Å; L152-L157 HydrophobicContact CD2-CD1 4.21Å; L152-A160 HydrophobicContact CD1-CB 4.48Å; L152-A160 HydrophobicContact CD2-CB 3.91Å; L152-A160 HydrophobicContact CG-CB 3.83Å
153	G	61.7	Low	74.8	Confident	58 Å²	58	55.9 Å²	55.9	60%	0.598	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	-119.5	-175.2	0	0	0	0	0	110.9	T155	G153-T155 VanDerWaalsContact C-N 3.35Å
154	N	60.7	Low	75.1	Confident	164 Å²	164	57 Å²	57	88%	0.877	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	0.2	175.9	-63.7	-22.3	0	0	0	114	L152	L152-N154 PolarHBondContact O-N 3.44Å
155	T	69.9	Low	75.9	Confident	34 Å²	34	50.4 Å²	50.4	21%	0.209	31%	0.311	C	S	.	.			trans	-80.7	133.4	-177.1	-44.6	0	0	0	0	110.7	L152 G153 T159 A160	L152-T155 WeakPolarHBondContact O-CB 3.4Å; L152-T155 PolarHBondContact O-N 2.81Å; L152-T155 PolarHBondContact O-OG1 2.68Å; G153-T155 VanDerWaalsContact C-N 3.35Å; T155-T159 HydrophobicContact CG2-CG2 3.92Å; T155-A160 HydrophobicContact CG2-CB 4.29Å
156	D	81.4	Confident	76.8	Confident	86 Å²	86	51.2 Å²	51.2	46%	0.46	30%	0.302	S	S	.	.			trans	-72.2	155.6	177.8	91.2	-24.3	0	0	0	112.6	C158 T159 A160	D156-C158 PolarHBondContact O-N 3.48Å; D156-C158 VanDerWaalsContact O-N 3.14Å; D156-C158 PolarHBondContact OD1-N 2.76Å; D156-T159 PolarHBondContact O-N 2.72Å; D156-T159 WeakPolarHBondContact OD1-CB 3.3Å; D156-T159 PolarHBondContact OD1-N 3.36Å; D156-T159 PolarHBondContact OD1-OG1 3.3Å; D156-A160 WeakPolarHBondContact O-CB 3.23Å; D156-A160 PolarHBondContact O-N 3.14Å
157	L	86.6	Confident	77.6	Confident	6 Å²	6	54.5 Å²	54.5	3%	0.031	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.7	-176.8	-175.8	57.7	0	0	0	112.7	F135 V140 V143 L146 L152 L161 I237	F135-L157 HydrophobicContact CE1-CB 4.42Å; F135-L157 HydrophobicContact CE1-CD2 4.25Å; F135-L157 HydrophobicContact CE1-CG 4.15Å; F135-L157 HydrophobicContact CZ-CD2 4.25Å; F135-L157 HydrophobicContact CZ-CG 4.23Å; V140-L157 HydrophobicContact CG2-CB 4.3Å; V143-L157 HydrophobicContact CG2-CD2 4.05Å; L146-L157 HydrophobicContact CD1-CD1 3.69Å; L152-L157 HydrophobicContact CD2-CB 4.47Å; L152-L157 HydrophobicContact CD2-CD1 4.21Å; L157-L161 HydrophobicContact CD1-CD1 4.13Å; L157-L161 HydrophobicContact CD1-CG 4.17Å; L157-L161 HydrophobicContact CG-CD1 4.06Å; L157-L161 WeakPolarHBondContact O-CB 3.37Å; L157-L161 WeakPolarHBondContact O-CD1 3.27Å; L157-L161 WeakPolarHBondContact O-CG 3.4Å; L157-L161 PolarHBondContact O-N 2.98Å; L157-I237 HydrophobicContact CD2-CD1 3.94Å
158	C	89.8	Confident	79.2	Confident	25 Å²	25	51.4 Å²	51.4	17%	0.169	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-56.3	176.4	-170.1	0	0	0	0	110.4	F135 D156 A160 L161 F162	F135-C158 HydrophobicContact CD1-CB 4.02Å; F135-C158 HydrophobicContact CG-CB 4.48Å; D156-C158 PolarHBondContact O-N 3.48Å; D156-C158 VanDerWaalsContact O-N 3.14Å; D156-C158 PolarHBondContact OD1-N 2.76Å; C158-A160 VanDerWaalsContact C-N 3.26Å; C158-A160 PolarHBondContact O-N 2.98Å; C158-L161 PolarHBondContact O-N 3.45Å; C158-F162 VanDerWaalsContact O-CD2 3.22Å; C158-F162 WeakPolarHBondContact O-CD2 3.49Å; C158-F162 PolarHBondContact O-N 2.86Å
159	T	87.5	Confident	81.1	Confident	74 Å²	74	45.3 Å²	45.3	45%	0.454	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-38.9	177.7	-49.9	0	0	0	0	111.1	T155 D156 L161 F162	T155-T159 HydrophobicContact CG2-CG2 3.92Å; D156-T159 PolarHBondContact O-N 2.72Å; D156-T159 WeakPolarHBondContact OD1-CB 3.3Å; D156-T159 PolarHBondContact OD1-N 3.36Å; D156-T159 PolarHBondContact OD1-OG1 3.3Å; T159-L161 PolarHBondContact O-N 3.27Å; T159-F162 PolarHBondContact O-N 2.92Å
160	A	86.2	Confident	82.6	Confident	10 Å²	10	45.5 Å²	45.5	8%	0.083	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.1	176.6	0	0	0	0	0	115	L152 T155 D156 C158 R227	L152-A160 HydrophobicContact CD1-CB 4.48Å; L152-A160 HydrophobicContact CD2-CB 3.91Å; L152-A160 HydrophobicContact CG-CB 3.83Å; T155-A160 HydrophobicContact CG2-CB 4.29Å; D156-A160 WeakPolarHBondContact O-CB 3.23Å; D156-A160 PolarHBondContact O-N 3.14Å; C158-A160 VanDerWaalsContact C-N 3.26Å; C158-A160 PolarHBondContact O-N 2.98Å; A160-R227 PolarHBondContact O-NH1 3.42Å
161	L	90.3	Very high	84.3	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-36.7	172.7	-78.3	173.5	0	0	0	112.7	F135 L157 C158 T159 P163 I224 R227 L228 Y259	F135-L161 HydrophobicContact CE1-CD1 4.49Å; F135-L161 HydrophobicContact CE2-CD1 3.8Å; F135-L161 HydrophobicContact CZ-CD1 3.61Å; L157-L161 HydrophobicContact CD1-CD1 4.13Å; L157-L161 HydrophobicContact CD1-CG 4.17Å; L157-L161 HydrophobicContact CG-CD1 4.06Å; L157-L161 WeakPolarHBondContact O-CB 3.37Å; L157-L161 WeakPolarHBondContact O-CD1 3.27Å; L157-L161 WeakPolarHBondContact O-CG 3.4Å; L157-L161 PolarHBondContact O-N 2.98Å; C158-L161 PolarHBondContact O-N 3.45Å; T159-L161 PolarHBondContact O-N 3.27Å; L161-P163 WeakPolarHBondContact O-CD 3.49Å; L161-I224 WeakPolarHBondContact O-CD1 3.44Å; L161-R227 HydrophobicContact CD2-CB 3.68Å; L161-L228 HydrophobicContact CD1-CD2 4.43Å; L161-L228 HydrophobicContact CD2-CD2 3.79Å; L161-L228 HydrophobicContact CD2-CG 3.9Å; L161-Y259 PolarHBondContact O-OH 2.83Å
162	F	91.6	Very high	86.2	Confident	8 Å²	8	35.7 Å²	35.7	4%	0.035	22%	0.22	C	C	.	.	S	Bend	trans	-114.9	51.8	-172.1	-55.8	-77	0	0	0	113.7	V127 M132 F135 C158 T159 C164 I165 L255 Y259	V127-F162 HydrophobicContact CG1-CD1 3.87Å; V127-F162 HydrophobicContact CG1-CE1 4.01Å; M132-F162 HydrophobicContact CB-CB 4.17Å; M132-F162 HydrophobicContact CB-CD1 3.89Å; M132-F162 HydrophobicContact CB-CD2 3.83Å; M132-F162 HydrophobicContact CB-CE1 4.2Å; M132-F162 HydrophobicContact CB-CE2 4.18Å; M132-F162 HydrophobicContact CB-CG 3.7Å; M132-F162 HydrophobicContact CB-CZ 4.36Å; M132-F162 HydrophobicContact CG-CB 3.68Å; M132-F162 HydrophobicContact CG-CD1 4.35Å; M132-F162 HydrophobicContact CG-CD2 3.73Å; M132-F162 HydrophobicContact CG-CE2 4.48Å; M132-F162 HydrophobicContact CG-CG 3.68Å; M132-F162 HydrophobicContact SD-CB 3.83Å; M132-F162 HydrophobicContact SD-CG 4.42Å; F135-F162 HydrophobicContact CB-CE2 4.4Å; F135-F162 AromaticContact CD2-CE2 3.69Å; F135-F162 HydrophobicContact CD2-CE2 3.69Å; F135-F162 HydrophobicContact CD2-CZ 4.14Å; F135-F162 HydrophobicContact CE2-CE2 4.2Å; F135-F162 HydrophobicContact CG-CE2 4.13Å; C158-F162 VanDerWaalsContact O-CD2 3.22Å; C158-F162 WeakPolarHBondContact O-CD2 3.49Å; C158-F162 PolarHBondContact O-N 2.86Å; T159-F162 PolarHBondContact O-N 2.92Å; F162-C164 PolarHBondContact O-N 3.45Å; F162-I165 HydrophobicContact CB-CG1 4.06Å; F162-L255 HydrophobicContact CE1-CD1 3.91Å; F162-L255 HydrophobicContact CE1-CD2 3.59Å; F162-L255 HydrophobicContact CE1-CG 4.38Å; F162-L255 HydrophobicContact CZ-CD2 3.68Å; F162-Y259 VanDerWaalsContact CD1-OH 3.31Å; F162-Y259 WeakPolarHBondContact CD1-OH 3.19Å
163	P	88.4	Confident	87.8	Confident	29 Å²	29	37.1 Å²	37.1	19%	0.188	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	139	-179.2	29.5	-35.6	0	0	0	110.8	L161 I165 F217 A220 I224	L161-P163 WeakPolarHBondContact O-CD 3.49Å; P163-I165 PolarHBondContact O-N 2.92Å; P163-F217 WeakPolarHBondContact O-CE2 3.35Å; P163-F217 WeakPolarHBondContact O-CZ 3.48Å; P163-A220 HydrophobicContact CG-CB 3.9Å; P163-I224 HydrophobicContact CG-CD1 3.99Å
164	C	89.1	Confident	89.4	Confident	24 Å²	24	38.7 Å²	38.7	16%	0.162	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	24.3	170.3	-50.2	0	0	0	0	116.7	F162 E167 L168 L213 F217	F162-C164 PolarHBondContact O-N 3.45Å; C164-E167 WeakPolarHBondContact CA-OE2 3.26Å; C164-L168 WeakPolarHBondContact O-CB 3.47Å; C164-L168 PolarHBondContact O-N 3.31Å; C164-L213 HydrophobicContact CB-CD2 3.66Å; C164-F217 HydrophobicContact CB-CE2 4Å
165	I	94.1	Very high	91.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-68.8	-32.7	-176.1	-78.3	-73.1	0	0	0	112.7	V127 R128 M132 F162 P163 V169 F217 I262	V127-I165 HydrophobicContact CG1-CD1 3.78Å; V127-I165 HydrophobicContact CG1-CG1 4.34Å; R128-I165 HydrophobicContact CB-CG2 3.84Å; R128-I165 HydrophobicContact CG-CG2 4.17Å; M132-I165 HydrophobicContact SD-CB 4.11Å; M132-I165 HydrophobicContact SD-CG2 4.03Å; F162-I165 HydrophobicContact CB-CG1 4.06Å; P163-I165 PolarHBondContact O-N 2.92Å; I165-V169 VanDerWaalsContact O-CG2 3.29Å; I165-V169 WeakPolarHBondContact O-CG2 3.17Å; I165-V169 PolarHBondContact O-N 3.21Å; I165-F217 HydrophobicContact CD1-CE1 3.83Å; I165-F217 HydrophobicContact CD1-CZ 3.67Å; I165-F217 HydrophobicContact CG1-CE1 4.35Å; I165-F217 HydrophobicContact CG1-CZ 4.01Å; I165-I262 HydrophobicContact CD1-CD1 4.29Å
166	N	95.2	Very high	92.4	Very high	74 Å²	74	29.7 Å²	29.7	40%	0.396	17%	0.167	S	C	.	.	H	α-helix	trans	-73.1	-38.2	-179.3	-60.9	-60.1	0	0	0	111.2	R128 V169 A170	R128-N166 WeakPolarHBondContact CD-OD1 3.26Å; N166-V169 PolarHBondContact O-N 2.99Å; N166-A170 WeakPolarHBondContact O-CB 3.06Å; N166-A170 PolarHBondContact O-N 2.84Å
167	E	95	Very high	93.1	Very high	79 Å²	79	27.5 Å²	27.5	37%	0.369	15%	0.153	S	C	.	.	H	α-helix	trans	-69.2	-43.3	178.6	-59.1	70	-160.4	0	0	109.8	C164 A170 S171 L213	C164-E167 WeakPolarHBondContact CA-OE2 3.26Å; E167-A170 PolarHBondContact O-N 3.45Å; E167-S171 PolarHBondContact O-N 2.83Å; E167-S171 PolarHBondContact O-OG 3.45Å; E167-L213 HydrophobicContact CB-CD1 4.32Å; E167-L213 HydrophobicContact CB-CD2 3.61Å
168	L	95.2	Very high	93.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-41	172.7	-173.6	67.8	0	0	0	112	L124 C164 H172 Y214 F217 I262	L124-L168 HydrophobicContact CD1-CD2 4.25Å; L124-L168 HydrophobicContact CD1-CG 3.95Å; L124-L168 HydrophobicContact CD2-CD2 3.59Å; L124-L168 HydrophobicContact CD2-CG 4.19Å; C164-L168 WeakPolarHBondContact O-CB 3.47Å; C164-L168 PolarHBondContact O-N 3.31Å; L168-H172 PolarHBondContact O-CD2 3.43Å; L168-H172 PolarHBondContact O-N 2.88Å; L168-Y214 HydrophobicContact CD1-CD2 4.21Å; L168-Y214 HydrophobicContact CD1-CE2 3.43Å; L168-Y214 VanDerWaalsContact CD1-CE2 3.43Å; L168-F217 HydrophobicContact CB-CE2 3.92Å; L168-F217 HydrophobicContact CB-CZ 4.24Å; L168-F217 HydrophobicContact CD1-CE2 4.49Å; L168-F217 HydrophobicContact CD2-CD2 4.24Å; L168-F217 HydrophobicContact CD2-CE1 4.21Å; L168-F217 HydrophobicContact CD2-CE2 3.62Å; L168-F217 HydrophobicContact CD2-CZ 3.59Å; L168-F217 HydrophobicContact CG-CE2 4.21Å; L168-I262 HydrophobicContact CD2-CD1 4.08Å; L168-I262 HydrophobicContact CD2-CG1 4.24Å; L168-I262 HydrophobicContact CD2-CG2 3.85Å
169	V	96.3	Very high	93.9	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-59.3	-52.9	171.1	168.2	0	0	0	0	110.2	L124 L125 I165 N166 S171 H172 E173	L124-V169 HydrophobicContact CB-CG2 3.62Å; L125-V169 HydrophobicContact CD2-CG1 3.89Å; I165-V169 VanDerWaalsContact O-CG2 3.29Å; I165-V169 WeakPolarHBondContact O-CG2 3.17Å; I165-V169 PolarHBondContact O-N 3.21Å; N166-V169 PolarHBondContact O-N 2.99Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 3.5Å; V169-H172 PolarHBondContact O-N 3.37Å; V169-E173 WeakPolarHBondContact O-CB 3.48Å; V169-E173 PolarHBondContact O-N 2.88Å
170	A	95.5	Very high	94.3	Very high	47 Å²	47	22.8 Å²	22.8	39%	0.388	12%	0.123	S	C	.	.	H	α-helix	trans	-60.4	-40.1	-175.5	0	0	0	0	0	113.1	N166 E167 K174	N166-A170 WeakPolarHBondContact O-CB 3.06Å; N166-A170 PolarHBondContact O-N 2.84Å; E167-A170 PolarHBondContact O-N 3.45Å; A170-K174 PolarHBondContact O-N 3.28Å
171	S	95.7	Very high	94.7	Very high	21 Å²	21	22.8 Å²	22.8	15%	0.147	12%	0.124	C	C	.	.	H	α-helix	trans	-68.2	-42.4	177.6	-65.4	0	0	0	0	112.5	E167 V169 K174 I175	E167-S171 PolarHBondContact O-N 2.83Å; E167-S171 PolarHBondContact O-OG 3.45Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 3.5Å; S171-K174 PolarHBondContact O-N 2.97Å; S171-I175 WeakPolarHBondContact O-CG1 3.31Å; S171-I175 PolarHBondContact O-N 2.91Å
172	H	96.8	Very high	95	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-75.9	-25.5	176.6	-78.9	-83.5	0	0	0	113.4	E117 Y120 V121 L124 L168 V169 I175 F176 Y214 W266	E117-H172 WeakPolarHBondContact OE1-CB 3.32Å; E117-H172 IonicContact OE1-CE1 3.49Å; E117-H172 IonicContact OE1-CG 3.56Å; E117-H172 IonicContact OE1-ND1 2.85Å; E117-H172 PolarHBondContact OE1-ND1 2.86Å; E117-H172 IonicContact OE2-ND1 3.23Å; Y120-H172 HydrophobicContact CD1-CB 4.41Å; Y120-H172 AromaticContact CD1-CG 3.93Å; Y120-H172 AromaticContact CD1-ND1 3.68Å; Y120-H172 HydrophobicContact CE1-CB 4.43Å; Y120-H172 AromaticContact CE1-CD2 3.8Å; Y120-H172 AromaticContact CE1-CE1 3.67Å; Y120-H172 AromaticContact CE1-CG 3.64Å; Y120-H172 AromaticContact CE1-ND1 3.54Å; Y120-H172 AromaticContact CE1-NE2 3.81Å; V121-H172 HydrophobicContact CG2-CB 4Å; L124-H172 HydrophobicContact CD1-CB 4.13Å; L168-H172 PolarHBondContact O-CD2 3.43Å; L168-H172 PolarHBondContact O-N 2.88Å; V169-H172 PolarHBondContact O-N 3.37Å; H172-I175 PolarHBondContact O-N 3.43Å; H172-F176 VanDerWaalsContact O-CB 3.32Å; H172-F176 WeakPolarHBondContact O-CB 3.36Å; H172-F176 PolarHBondContact O-N 3.34Å; H172-Y214 PolarHBondContact CE1-OH 3.38Å; H172-Y214 AromaticContact NE2-CE2 3.52Å; H172-Y214 AromaticContact NE2-CZ 3.56Å; H172-Y214 PolarHBondContact NE2-OH 3.3Å; H172-W266 AromaticContact CE1-CZ2 3.65Å; H172-W266 AromaticContact NE2-CZ2 3.92Å
173	E	96.4	Very high	95.1	Very high	38 Å²	38	23 Å²	23	18%	0.178	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-41.3	170.2	-174.7	-175.1	143.8	0	0	111.6	V71 V169 F176 R177	V71-E173 HydrophobicContact CG1-CG 4.07Å; V71-E173 HydrophobicContact CG2-CG 3.63Å; V71-E173 WeakPolarHBondContact CG2-OE1 3.35Å; V71-E173 WeakPolarHBondContact CG2-OE2 3.33Å; V169-E173 WeakPolarHBondContact O-CB 3.48Å; V169-E173 PolarHBondContact O-N 2.88Å; E173-F176 PolarHBondContact O-N 2.99Å; E173-R177 WeakPolarHBondContact O-CG 3.38Å; E173-R177 PolarHBondContact O-N 3.43Å; E173-R177 IonicContact OE1-CZ 2.63Å; E173-R177 VanDerWaalsContact OE1-CZ 3.23Å; E173-R177 IonicContact OE1-NH1 2.76Å; E173-R177 PolarHBondContact OE1-NH1 2.94Å; E173-R177 IonicContact OE1-NH2 2.69Å; E173-R177 PolarHBondContact OE1-NH2 2.75Å
174	K	95.2	Very high	95.4	Very high	91 Å²	91	24.6 Å²	24.6	40%	0.396	13%	0.132	S	C	.	.	H	α-helix	trans	-59.6	-50.2	171.4	-69.5	178.6	179.1	-176.8	0	111.8	L65 A170 S171 F176 R177 V178	L65-K174 HydrophobicContact CD2-CB 3.81Å; L65-K174 HydrophobicContact CD2-CG 4.08Å; A170-K174 PolarHBondContact O-N 3.28Å; S171-K174 PolarHBondContact O-N 2.97Å; K174-F176 VanDerWaalsContact C-N 3.3Å; K174-F176 PolarHBondContact O-N 3.24Å; K174-R177 PolarHBondContact O-N 3.27Å; K174-V178 PolarHBondContact O-N 2.96Å
175	I	96.4	Very high	95.6	Very high	9 Å²	9	28.2 Å²	28.2	5%	0.046	15%	0.147	C	C	.	.	H	α-helix	trans	-57.9	-45.9	179.6	-62.6	166.5	0	0	0	110.2	E117 S171 H172 V178 L179 L201 L210 W266	E117-I175 HydrophobicContact CG-CG2 4.11Å; S171-I175 WeakPolarHBondContact O-CG1 3.31Å; S171-I175 PolarHBondContact O-N 2.91Å; H172-I175 PolarHBondContact O-N 3.43Å; I175-V178 PolarHBondContact O-N 3.04Å; I175-L179 HydrophobicContact CG2-CD1 3.91Å; I175-L179 HydrophobicContact CG2-CG 4.44Å; I175-L179 WeakPolarHBondContact O-CB 3.43Å; I175-L179 WeakPolarHBondContact O-CG 3.46Å; I175-L179 PolarHBondContact O-N 3.31Å; I175-L201 HydrophobicContact CB-CD2 4.2Å; I175-L201 HydrophobicContact CG1-CD1 4.21Å; I175-L201 HydrophobicContact CG1-CD2 4.01Å; I175-L201 HydrophobicContact CG1-CG 4.28Å; I175-L201 HydrophobicContact CG2-CD2 4.12Å; I175-L210 HydrophobicContact CD1-CD1 4.45Å; I175-W266 HydrophobicContact CD1-CH2 3.83Å; I175-W266 HydrophobicContact CD1-CZ2 4.19Å
176	F	97.2	Very high	95.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-37	178.7	-179.3	-123.6	0	0	0	113.2	L74 I75 T78 E117 R118 V121 H172 E173 K174 V178 L179 A180	L74-F176 HydrophobicContact CB-CE1 4.05Å; L74-F176 HydrophobicContact CD2-CD1 3.78Å; L74-F176 HydrophobicContact CD2-CE1 3.63Å; L74-F176 HydrophobicContact CD2-CZ 4.27Å; L74-F176 HydrophobicContact CG-CD1 4.29Å; L74-F176 HydrophobicContact CG-CE1 3.62Å; L74-F176 HydrophobicContact CG-CZ 3.98Å; I75-F176 HydrophobicContact CG1-CE1 3.83Å; I75-F176 HydrophobicContact CG1-CZ 4.28Å; T78-F176 HydrophobicContact CG2-CZ 4.33Å; E117-F176 HydrophobicContact CG-CB 4.08Å; E117-F176 HydrophobicContact CG-CD2 4.49Å; R118-F176 HydrophobicContact CB-CD2 4.2Å; R118-F176 HydrophobicContact CB-CE2 3.5Å; R118-F176 HydrophobicContact CB-CZ 3.89Å; R118-F176 HydrophobicContact CG-CE2 3.91Å; R118-F176 HydrophobicContact CG-CZ 3.74Å; V121-F176 HydrophobicContact CG1-CD1 4.47Å; V121-F176 HydrophobicContact CG2-CB 3.86Å; V121-F176 HydrophobicContact CG2-CG 4.29Å; H172-F176 VanDerWaalsContact O-CB 3.32Å; H172-F176 WeakPolarHBondContact O-CB 3.36Å; H172-F176 PolarHBondContact O-N 3.34Å; E173-F176 PolarHBondContact O-N 2.99Å; K174-F176 VanDerWaalsContact C-N 3.3Å; K174-F176 PolarHBondContact O-N 3.24Å; F176-V178 PolarHBondContact O-N 3.39Å; F176-L179 PolarHBondContact O-N 3.4Å; F176-A180 HydrophobicContact CD2-CB 4.22Å; F176-A180 HydrophobicContact CE2-CB 3.8Å; F176-A180 HydrophobicContact CZ-CB 4.08Å; F176-A180 WeakPolarHBondContact O-CB 3.48Å; F176-A180 PolarHBondContact O-N 3.29Å
177	R	96.7	Very high	95.3	Very high	40 Å²	40	38.6 Å²	38.6	15%	0.151	19%	0.188	C	C	.	.	H	α-helix	trans	-57.5	-45.9	173.5	-80.9	-152.5	179.7	74	12.5	112.1	F64 S67 V69 L74 E173 K174 G181	F64-R177 WeakPolarHBondContact O-CD 3.38Å; S67-R177 PolarHBondContact O-NE 3.15Å; V69-R177 PolarHBondContact O-NH2 2.86Å; L74-R177 HydrophobicContact CD2-CB 4.47Å; L74-R177 HydrophobicContact CD2-CG 3.95Å; E173-R177 WeakPolarHBondContact O-CG 3.38Å; E173-R177 PolarHBondContact O-N 3.43Å; E173-R177 IonicContact OE1-CZ 2.63Å; E173-R177 VanDerWaalsContact OE1-CZ 3.23Å; E173-R177 IonicContact OE1-NH1 2.76Å; E173-R177 PolarHBondContact OE1-NH1 2.94Å; E173-R177 IonicContact OE1-NH2 2.69Å; E173-R177 PolarHBondContact OE1-NH2 2.75Å; K174-R177 PolarHBondContact O-N 3.27Å; R177-G181 WeakPolarHBondContact O-CA 3.28Å; R177-G181 PolarHBondContact O-N 2.91Å
178	V	96.1	Very high	95.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-68.3	-50.1	178.9	179.9	0	0	0	0	111.1	I61 L65 K174 I175 F176 A180 G181 L182 L201	I61-V178 HydrophobicContact CD1-CG1 4.2Å; I61-V178 HydrophobicContact CD1-CG2 4.11Å; I61-V178 HydrophobicContact CG1-CG1 4.02Å; I61-V178 HydrophobicContact CG1-CG2 3.63Å; L65-V178 HydrophobicContact CD2-CG2 3.84Å; L65-V178 HydrophobicContact CG-CG2 3.99Å; K174-V178 PolarHBondContact O-N 2.96Å; I175-V178 PolarHBondContact O-N 3.04Å; F176-V178 PolarHBondContact O-N 3.39Å; V178-A180 PolarHBondContact O-N 2.93Å; V178-G181 PolarHBondContact O-N 2.95Å; V178-L182 HydrophobicContact CG1-CD1 4.06Å; V178-L182 WeakPolarHBondContact O-CG 3.26Å; V178-L182 PolarHBondContact O-N 3Å; V178-L201 HydrophobicContact CG2-CD1 4.38Å
179	L	96.8	Very high	95.2	Very high	5 Å²	5	38 Å²	38	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-44.8	-179.6	-75	-179.9	0	0	0	112.9	L113 V114 E117 I175 F176 H183 L194 L198	L113-L179 HydrophobicContact CD2-CD2 4.32Å; L113-L179 HydrophobicContact CG-CD1 4.28Å; V114-L179 HydrophobicContact CG2-CB 4.29Å; E117-L179 HydrophobicContact CB-CD1 4.06Å; E117-L179 HydrophobicContact CG-CD1 4.11Å; I175-L179 HydrophobicContact CG2-CD1 3.91Å; I175-L179 HydrophobicContact CG2-CG 4.44Å; I175-L179 WeakPolarHBondContact O-CB 3.43Å; I175-L179 WeakPolarHBondContact O-CG 3.46Å; I175-L179 PolarHBondContact O-N 3.31Å; F176-L179 PolarHBondContact O-N 3.4Å; L179-H183 WeakPolarHBondContact O-CB 3.22Å; L179-H183 PolarHBondContact O-N 3.02Å; L179-H183 VanDerWaalsContact O-N 3.15Å; L179-L194 HydrophobicContact CD2-CD1 3.63Å; L179-L198 HydrophobicContact CD2-CD2 4.39Å
180	A	96.3	Very high	95.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-70	-36.4	176.2	0	0	0	0	0	111.9	L74 T78 F176 V178 H183 L184	L74-A180 HydrophobicContact CD1-CB 3.8Å; L74-A180 HydrophobicContact CD2-CB 4.03Å; L74-A180 HydrophobicContact CG-CB 3.98Å; T78-A180 HydrophobicContact CG2-CB 3.86Å; F176-A180 HydrophobicContact CD2-CB 4.22Å; F176-A180 HydrophobicContact CE2-CB 3.8Å; F176-A180 HydrophobicContact CZ-CB 4.08Å; F176-A180 WeakPolarHBondContact O-CB 3.48Å; F176-A180 PolarHBondContact O-N 3.29Å; V178-A180 PolarHBondContact O-N 2.93Å; A180-H183 PolarHBondContact O-N 3.25Å; A180-L184 WeakPolarHBondContact O-CB 3.39Å; A180-L184 WeakPolarHBondContact O-CG 3.46Å; A180-L184 PolarHBondContact O-N 3.35Å
181	G	95.2	Very high	95.1	Very high	10 Å²	10	36.3 Å²	36.3	10%	0.103	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-50.1	176.2	0	0	0	0	0	112.5	F64 R177 V178 L184 E185	F64-G181 VanDerWaalsContact CE1-C 3.47Å; F64-G181 VanDerWaalsContact CE1-CA 3.46Å; F64-G181 VanDerWaalsContact CZ-C 3.46Å; R177-G181 WeakPolarHBondContact O-CA 3.28Å; R177-G181 PolarHBondContact O-N 2.91Å; V178-G181 PolarHBondContact O-N 2.95Å; G181-L184 PolarHBondContact O-N 2.92Å; G181-E185 PolarHBondContact O-N 3.34Å
182	L	95.4	Very high	95	Very high	11 Å²	11	39.1 Å²	39.1	6%	0.058	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-45.1	175.6	-66.9	168.3	0	0	0	112.1	F64 V178 L184 E185 V191 L194 Y197	F64-L182 HydrophobicContact CE2-CD2 3.82Å; F64-L182 HydrophobicContact CE2-CG 4.05Å; F64-L182 HydrophobicContact CZ-CD2 4.43Å; V178-L182 HydrophobicContact CG1-CD1 4.06Å; V178-L182 WeakPolarHBondContact O-CG 3.26Å; V178-L182 PolarHBondContact O-N 3Å; L182-L184 PolarHBondContact O-N 3.25Å; L182-E185 PolarHBondContact O-N 3.43Å; L182-V191 HydrophobicContact CB-CG1 4.17Å; L182-V191 HydrophobicContact CB-CG2 4.05Å; L182-V191 HydrophobicContact CD1-CG1 4.37Å; L182-L194 HydrophobicContact CD1-CD1 4.42Å; L182-Y197 HydrophobicContact CD1-CD1 4.34Å; L182-Y197 HydrophobicContact CD1-CD2 3.79Å; L182-Y197 HydrophobicContact CD1-CE2 4.47Å; L182-Y197 HydrophobicContact CD1-CG 3.71Å; L182-Y197 HydrophobicContact CD2-CD1 4.04Å; L182-Y197 HydrophobicContact CD2-CD2 3.71Å; L182-Y197 HydrophobicContact CD2-CE1 3.86Å; L182-Y197 HydrophobicContact CD2-CE2 3.54Å; L182-Y197 HydrophobicContact CD2-CG 3.96Å; L182-Y197 HydrophobicContact CG-CD2 4.4Å; L182-Y197 HydrophobicContact CG-CG 4.38Å
183	H	94.6	Very high	94.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-69.1	-22.7	-179.3	-152.1	-114	0	0	0	112.5	Y80 L81 W111 V114 L179 A180 H189	Y80-H183 AromaticContact CE2-CE1 3.94Å; Y80-H183 AromaticContact CE2-ND1 3.86Å; Y80-H183 AromaticContact CZ-ND1 3.73Å; Y80-H183 PolarHBondContact OH-ND1 2.78Å; L81-H183 VanDerWaalsContact CD2-CE1 3.49Å; L81-H183 WeakPolarHBondContact CD2-CE1 3.19Å; W111-H183 AromaticContact CE3-CE1 3.39Å; W111-H183 AromaticContact CE3-NE2 3.56Å; W111-H183 AromaticContact CZ3-CE1 3.68Å; V114-H183 HydrophobicContact CG1-CB 4.26Å; V114-H183 HydrophobicContact CG2-CB 4.22Å; L179-H183 WeakPolarHBondContact O-CB 3.22Å; L179-H183 PolarHBondContact O-N 3.02Å; L179-H183 VanDerWaalsContact O-N 3.15Å; A180-H183 PolarHBondContact O-N 3.25Å; H183-H189 PolarHBondContact CD2-O 2.75Å; H183-H189 VanDerWaalsContact CD2-O 3.23Å; H183-H189 PolarHBondContact NE2-O 3.32Å; H183-H189 PolarHBondContact O-ND1 3.12Å
184	L	94.5	Very high	94.7	Very high	64 Å²	64	38.4 Å²	38.4	34%	0.335	19%	0.188	S	C	.	.	H	α-helix	trans	-93.9	-7.2	174.9	-71.7	170.9	0	0	0	114	L74 R77 T78 Y80 A180 G181 L182 R186	L74-L184 HydrophobicContact CD1-CD1 4.14Å; R77-L184 HydrophobicContact CB-CD1 4.28Å; T78-L184 HydrophobicContact CG2-CD1 4.17Å; T78-L184 HydrophobicContact CG2-CG 4.48Å; Y80-L184 HydrophobicContact CE1-CD2 3.87Å; A180-L184 WeakPolarHBondContact O-CB 3.39Å; A180-L184 WeakPolarHBondContact O-CG 3.46Å; A180-L184 PolarHBondContact O-N 3.35Å; G181-L184 PolarHBondContact O-N 2.92Å; L182-L184 PolarHBondContact O-N 3.25Å; L184-R186 PolarHBondContact O-N 3.41Å
185	E	92.2	Very high	94.8	Very high	99 Å²	99	34.1 Å²	34.1	46%	0.463	17%	0.169	S	C	.	.	S	Bend	trans	-66.6	-22.9	179.2	-166.7	179.6	145.3	0	0	112.1	K60 G181 L182	K60-E185 IonicContact NZ-OE1 2.58Å; K60-E185 PolarHBondContact NZ-OE1 2.91Å; K60-E185 IonicContact NZ-OE2 3.4Å; K60-E185 PolarHBondContact NZ-OE2 2.94Å; G181-E185 PolarHBondContact O-N 3.34Å; L182-E185 PolarHBondContact O-N 3.43Å
186	R	92.3	Very high	94.7	Very high	117 Å²	117	34.2 Å²	34.2	44%	0.442	17%	0.171	S	C	.	.	S	Bend	trans	-132.1	142.9	-177.5	-63.5	170.8	57	96.4	1.6	112	L184 D188 H189 V190	L184-R186 PolarHBondContact O-N 3.41Å; R186-D188 VanDerWaalsContact CB-OD1 3.26Å; R186-D188 WeakPolarHBondContact CB-OD1 3.35Å; R186-D188 IonicContact CZ-OD1 3.56Å; R186-D188 IonicContact CZ-OD2 3.31Å; R186-D188 IonicContact NE-OD1 3.59Å; R186-D188 PolarHBondContact NE-OD1 3.17Å; R186-D188 IonicContact NE-OD2 3.15Å; R186-D188 IonicContact NH2-OD1 2.71Å; R186-D188 IonicContact NH2-OD2 2.69Å; R186-D188 PolarHBondContact NH2-OD2 2.92Å; R186-D188 PolarHBondContact O-N 3.17Å; R186-H189 PolarHBondContact O-N 2.96Å; R186-H189 PolarHBondContact O-ND1 3Å; R186-V190 VanDerWaalsContact CD-O 3.31Å; R186-V190 WeakPolarHBondContact CD-O 3.39Å
187	E	91.8	Very high	94.6	Very high	177 Å²	177	34.6 Å²	34.6	83%	0.827	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.9	176.6	-58.9	-178.6	164.5	0	0	113.3	Y90 H189	Y90-E187 WeakPolarHBondContact CE1-O 3.3Å; Y90-E187 PolarHBondContact OH-O 3.41Å; E187-H189 VanDerWaalsContact C-N 3.32Å
188	D	92.3	Very high	94.6	Very high	50 Å²	50	33 Å²	33	27%	0.267	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.1	174.4	70.5	0.9	0	0	0	113.7	W87 R186 V190	W87-D188 PolarHBondContact NE1-O 2.82Å; R186-D188 VanDerWaalsContact CB-OD1 3.26Å; R186-D188 WeakPolarHBondContact CB-OD1 3.35Å; R186-D188 IonicContact CZ-OD1 3.56Å; R186-D188 IonicContact CZ-OD2 3.31Å; R186-D188 IonicContact NE-OD1 3.59Å; R186-D188 PolarHBondContact NE-OD1 3.17Å; R186-D188 IonicContact NE-OD2 3.15Å; R186-D188 IonicContact NH2-OD1 2.71Å; R186-D188 IonicContact NH2-OD2 2.69Å; R186-D188 PolarHBondContact NH2-OD2 2.92Å; R186-D188 PolarHBondContact O-N 3.17Å; D188-V190 HydrophobicContact CB-CG2 4.24Å; D188-V190 PolarHBondContact O-N 3.15Å; D188-V190 PolarHBondContact OD1-N 2.98Å
189	H	95.2	Very high	94.6	Very high	17 Å²	17	35.2 Å²	35.2	8%	0.079	18%	0.181	C	C	.	.			trans	53.6	18.6	-177.5	-53.9	-43.4	0	0	0	115.3	Y80 Y90 W111 H183 R186 E187	Y80-H189 AromaticContact CD2-CD2 3.85Å; Y80-H189 AromaticContact CD2-NE2 3.71Å; Y80-H189 AromaticContact CE2-CD2 3.21Å; Y80-H189 WeakPolarHBondContact CE2-CD2 3.37Å; Y80-H189 AromaticContact CE2-CE1 3.84Å; Y80-H189 AromaticContact CE2-CG 3.78Å; Y80-H189 AromaticContact CE2-NE2 3.24Å; Y80-H189 WeakPolarHBondContact CE2-NE2 3.13Å; Y80-H189 AromaticContact CZ-CD2 3.71Å; Y80-H189 AromaticContact CZ-CE1 3.52Å; Y80-H189 AromaticContact CZ-CG 3.97Å; Y80-H189 AromaticContact CZ-ND1 3.84Å; Y80-H189 AromaticContact CZ-NE2 3.4Å; Y80-H189 PolarHBondContact OH-CE1 2.92Å; Y80-H189 PolarHBondContact OH-ND1 2.87Å; Y90-H189 AromaticContact CD1-CD2 3.84Å; Y90-H189 AromaticContact CE1-CD2 3.3Å; Y90-H189 WeakPolarHBondContact CE1-CD2 3.49Å; Y90-H189 AromaticContact CE1-NE2 3.86Å; Y90-H189 AromaticContact CZ-CD2 3.43Å; Y90-H189 VanDerWaalsContact CZ-CD2 3.43Å; Y90-H189 AromaticContact CZ-NE2 3.48Å; Y90-H189 PolarHBondContact OH-NE2 3.5Å; W111-H189 HydrophobicContact CZ3-CB 4.04Å; W111-H189 AromaticContact CZ3-CD2 3.93Å; H183-H189 PolarHBondContact CD2-O 2.75Å; H183-H189 VanDerWaalsContact CD2-O 3.23Å; H183-H189 PolarHBondContact NE2-O 3.32Å; H183-H189 PolarHBondContact O-ND1 3.12Å; R186-H189 PolarHBondContact O-N 2.96Å; R186-H189 PolarHBondContact O-ND1 3Å; E187-H189 VanDerWaalsContact C-N 3.32Å
190	V	95.5	Very high	94.5	Very high	9 Å²	9	36.8 Å²	36.8	6%	0.055	19%	0.188	C	C	.	.			trans	-77.5	125.7	175.7	178.5	0	0	0	0	109.2	W87 R186 D188 P192	W87-V190 HydrophobicContact CZ2-CG2 3.61Å; R186-V190 VanDerWaalsContact CD-O 3.31Å; R186-V190 WeakPolarHBondContact CD-O 3.39Å; D188-V190 HydrophobicContact CB-CG2 4.24Å; D188-V190 PolarHBondContact O-N 3.15Å; D188-V190 PolarHBondContact OD1-N 2.98Å; V190-P192 WeakPolarHBondContact O-CD 3.31Å
191	V	95.4	Very high	94.3	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.018	19%	0.192	C	C	.	.			trans	-98.2	110.9	173.3	-179.4	0	0	0	0	108.8	R106 I110 L182 S193 L194	R106-V191 PolarHBondContact NH1-O 2.89Å; I110-V191 HydrophobicContact CG2-CB 4.3Å; I110-V191 HydrophobicContact CG2-CG2 4.16Å; L182-V191 HydrophobicContact CB-CG1 4.17Å; L182-V191 HydrophobicContact CB-CG2 4.05Å; L182-V191 HydrophobicContact CD1-CG1 4.37Å; V191-S193 WeakPolarHBondContact CG1-O 3.23Å; V191-L194 HydrophobicContact CG1-CB 3.97Å
192	P	92.3	Very high	94.3	Very high	80 Å²	80	37.8 Å²	37.8	52%	0.519	19%	0.19	S	C	.	.	S	Bend	trans	-67.7	-68.5	-177.5	-20.4	34.4	0	0	0	111.6	R106 V190	R106-P192 PolarHBondContact NH1-O 3.5Å; R106-P192 PolarHBondContact NH2-O 3.49Å; V190-P192 WeakPolarHBondContact O-CD 3.31Å
193	S	92.3	Very high	94.2	Very high	21 Å²	21	40 Å²	40	15%	0.147	20%	0.202	C	C	.	.			trans	-97.8	122.6	165.6	-179.5	0	0	0	0	110.3	V191 A196 Y197 E286	V191-S193 WeakPolarHBondContact CG1-O 3.23Å; S193-A196 PolarHBondContact OG-N 2.81Å; S193-Y197 WeakPolarHBondContact O-CD2 3.37Å; S193-E286 VanDerWaalsContact CA-OE2 3.26Å; S193-E286 WeakPolarHBondContact CA-OE2 3.45Å; S193-E286 WeakPolarHBondContact CB-OE2 3.46Å; S193-E286 PolarHBondContact OG-OE2 3.05Å
194	L	96.1	Very high	94.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	24%	0.237	C	C	.	.	S	Bend	trans	-103.6	-33.4	167.4	171.3	63.3	0	0	0	110.1	I110 L113 L179 L182 V191 A196 Y197 L198 I276 E286 L290	I110-L194 HydrophobicContact CD1-CD2 4.36Å; I110-L194 HydrophobicContact CG1-CD2 4.01Å; L113-L194 HydrophobicContact CD2-CD2 3.95Å; L179-L194 HydrophobicContact CD2-CD1 3.63Å; L182-L194 HydrophobicContact CD1-CD1 4.42Å; V191-L194 HydrophobicContact CG1-CB 3.97Å; L194-A196 PolarHBondContact O-N 3.33Å; L194-Y197 PolarHBondContact O-N 3.43Å; L194-L198 HydrophobicContact CD1-CD1 4.03Å; L194-L198 HydrophobicContact CD1-CD2 4.42Å; L194-L198 HydrophobicContact CD1-CG 3.93Å; L194-L198 HydrophobicContact CD2-CD1 4.19Å; L194-L198 HydrophobicContact CG-CD1 3.77Å; L194-L198 HydrophobicContact CG-CG 4.11Å; L194-L198 WeakPolarHBondContact O-CG 3.42Å; L194-L198 PolarHBondContact O-N 3.34Å; L194-L198 VanDerWaalsContact O-N 3.12Å; L194-I276 HydrophobicContact CD2-CD1 3.98Å; L194-E286 PolarHBondContact N-OE1 3.27Å; L194-E286 PolarHBondContact N-OE2 2.7Å; L194-L290 HydrophobicContact CB-CD2 4.39Å; L194-L290 HydrophobicContact CD2-CD2 4.37Å; L194-L290 HydrophobicContact CG-CD2 4.29Å
195	G	96.1	Very high	94.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.2	-51.7	-177.8	0	0	0	0	0	112.7	Y197 L198 V199 E286 S293	G195-Y197 VanDerWaalsContact C-N 3.31Å; G195-Y197 PolarHBondContact O-N 3.45Å; G195-L198 PolarHBondContact O-N 2.75Å; G195-L198 VanDerWaalsContact O-N 3.07Å; G195-V199 WeakPolarHBondContact O-CG2 3.47Å; G195-V199 PolarHBondContact O-N 2.74Å; G195-E286 WeakPolarHBondContact CA-OE2 3.43Å; G195-E286 VanDerWaalsContact N-CD 3.34Å; G195-E286 PolarHBondContact N-OE1 3.19Å; G195-E286 VanDerWaalsContact N-OE1 3.11Å; G195-E286 PolarHBondContact N-OE2 3.35Å; G195-S293 PolarHBondContact O-OG 2.93Å
196	A	94.3	Very high	94.2	Very high	11 Å²	11	41.8 Å²	41.8	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-56	-45.3	-176	0	0	0	0	0	112.3	S193 L194 V199 Q200	S193-A196 PolarHBondContact OG-N 2.81Å; L194-A196 PolarHBondContact O-N 3.33Å; A196-V199 PolarHBondContact O-N 2.64Å; A196-Q200 WeakPolarHBondContact O-CG 3.39Å; A196-Q200 PolarHBondContact O-N 2.76Å; A196-Q200 VanDerWaalsContact O-N 3.13Å
197	Y	96.1	Very high	94.4	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.035	21%	0.208	C	C	.	.	H	α-helix	trans	-68.9	-34.8	177.9	-61.6	-85.9	0	0	0	113.1	D57 K60 I61 L182 S193 L194 G195 L201	D57-Y197 HydrophobicContact CB-CE1 4.11Å; D57-Y197 VanDerWaalsContact OD1-CZ 3.25Å; D57-Y197 PolarHBondContact OD1-OH 2.72Å; K60-Y197 HydrophobicContact CB-CE1 4.01Å; K60-Y197 HydrophobicContact CD-CE1 4.4Å; K60-Y197 WeakPolarHBondContact CD-OH 3.44Å; I61-Y197 HydrophobicContact CB-CD1 4.29Å; I61-Y197 HydrophobicContact CG1-CD1 4.48Å; L182-Y197 HydrophobicContact CD1-CD1 4.34Å; L182-Y197 HydrophobicContact CD1-CD2 3.79Å; L182-Y197 HydrophobicContact CD1-CE2 4.47Å; L182-Y197 HydrophobicContact CD1-CG 3.71Å; L182-Y197 HydrophobicContact CD2-CD1 4.04Å; L182-Y197 HydrophobicContact CD2-CD2 3.71Å; L182-Y197 HydrophobicContact CD2-CE1 3.86Å; L182-Y197 HydrophobicContact CD2-CE2 3.54Å; L182-Y197 HydrophobicContact CD2-CG 3.96Å; L182-Y197 HydrophobicContact CG-CD2 4.4Å; L182-Y197 HydrophobicContact CG-CG 4.38Å; S193-Y197 WeakPolarHBondContact O-CD2 3.37Å; L194-Y197 PolarHBondContact O-N 3.43Å; G195-Y197 VanDerWaalsContact C-N 3.31Å; G195-Y197 PolarHBondContact O-N 3.45Å; Y197-L201 WeakPolarHBondContact O-CB 3.11Å; Y197-L201 PolarHBondContact O-N 3.12Å
198	L	96.5	Very high	94.5	Very high	7 Å²	7	32 Å²	32	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-69.6	-35.9	174.5	-71.7	-177.9	0	0	0	112.2	L179 L194 G195 L201 F202 L273 L290 S293	L179-L198 HydrophobicContact CD2-CD2 4.39Å; L194-L198 HydrophobicContact CD1-CD1 4.03Å; L194-L198 HydrophobicContact CD1-CD2 4.42Å; L194-L198 HydrophobicContact CD1-CG 3.93Å; L194-L198 HydrophobicContact CD2-CD1 4.19Å; L194-L198 HydrophobicContact CG-CD1 3.77Å; L194-L198 HydrophobicContact CG-CG 4.11Å; L194-L198 WeakPolarHBondContact O-CG 3.42Å; L194-L198 PolarHBondContact O-N 3.34Å; L194-L198 VanDerWaalsContact O-N 3.12Å; G195-L198 PolarHBondContact O-N 2.75Å; G195-L198 VanDerWaalsContact O-N 3.07Å; L198-L201 HydrophobicContact CD2-CD2 4.01Å; L198-L201 PolarHBondContact O-N 3.16Å; L198-F202 HydrophobicContact CB-CD2 4.35Å; L198-F202 HydrophobicContact CB-CE2 4.24Å; L198-F202 HydrophobicContact CD2-CE2 4.18Å; L198-F202 WeakPolarHBondContact O-CB 3.41Å; L198-F202 WeakPolarHBondContact O-CD2 3.45Å; L198-F202 WeakPolarHBondContact O-CG 3.42Å; L198-F202 PolarHBondContact O-N 2.86Å; L198-L273 HydrophobicContact CD1-CD2 3.61Å; L198-L290 HydrophobicContact CD1-CD2 4.49Å; L198-S293 WeakPolarHBondContact CB-OG 3.29Å
199	V	95.6	Very high	94.7	Very high	46 Å²	46	31.9 Å²	31.9	28%	0.279	19%	0.191	S	C	.	.	H	α-helix	trans	-62.4	-46.2	173	174.7	0	0	0	0	110.6	G195 A196 L201 F202 N289 I292 S293	G195-V199 WeakPolarHBondContact O-CG2 3.47Å; G195-V199 PolarHBondContact O-N 2.74Å; A196-V199 PolarHBondContact O-N 2.64Å; V199-L201 VanDerWaalsContact C-N 3.33Å; V199-L201 PolarHBondContact O-N 2.69Å; V199-F202 CarbonylContact O-C 3.55Å; V199-F202 PolarHBondContact O-N 3.1Å; V199-N289 HydrophobicContact CG2-CB 4.15Å; V199-N289 VanDerWaalsContact CG2-O 3.28Å; V199-N289 WeakPolarHBondContact CG2-O 3.34Å; V199-I292 HydrophobicContact CG1-CG2 4.23Å; V199-I292 HydrophobicContact CG2-CB 3.95Å; V199-I292 HydrophobicContact CG2-CG2 3.77Å; V199-S293 PolarHBondContact N-OG 2.69Å
200	Q	93.8	Very high	94.7	Very high	39 Å²	39	31.4 Å²	31.4	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-65.8	-33.2	177.1	-65.5	-178.4	26.6	0	0	113.2	H58 I61 A196	H58-Q200 VanDerWaalsContact CE1-CD 3.43Å; H58-Q200 PolarHBondContact CE1-OE1 2.76Å; H58-Q200 PolarHBondContact ND1-OE1 3.29Å; I61-Q200 HydrophobicContact CD1-CB 3.77Å; I61-Q200 VanDerWaalsContact CG2-OE1 3.29Å; A196-Q200 WeakPolarHBondContact O-CG 3.39Å; A196-Q200 PolarHBondContact O-N 2.76Å; A196-Q200 VanDerWaalsContact O-N 3.13Å
201	L	93.9	Very high	94.8	Very high	15 Å²	15	31.3 Å²	31.3	8%	0.079	19%	0.189	C	C	.	.	H	α-helix	trans	-76.3	-22.7	177.5	179.5	65.1	0	0	0	113.2	I61 I175 V178 Y197 L198 V199	I61-L201 HydrophobicContact CD1-CB 4.36Å; I175-L201 HydrophobicContact CB-CD2 4.2Å; I175-L201 HydrophobicContact CG1-CD1 4.21Å; I175-L201 HydrophobicContact CG1-CD2 4.01Å; I175-L201 HydrophobicContact CG1-CG 4.28Å; I175-L201 HydrophobicContact CG2-CD2 4.12Å; V178-L201 HydrophobicContact CG2-CD1 4.38Å; Y197-L201 WeakPolarHBondContact O-CB 3.11Å; Y197-L201 PolarHBondContact O-N 3.12Å; L198-L201 HydrophobicContact CD2-CD2 4.01Å; L198-L201 PolarHBondContact O-N 3.16Å; V199-L201 VanDerWaalsContact C-N 3.33Å; V199-L201 PolarHBondContact O-N 2.69Å
202	F	95.2	Very high	94.8	Very high	15 Å²	15	35.5 Å²	35.5	7%	0.066	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	47.5	175.9	-64.1	-42.9	0	0	0	111.8	L198 V199 L207 L210 W266 A296 V297 I300	L198-F202 HydrophobicContact CB-CD2 4.35Å; L198-F202 HydrophobicContact CB-CE2 4.24Å; L198-F202 HydrophobicContact CD2-CE2 4.18Å; L198-F202 WeakPolarHBondContact O-CB 3.41Å; L198-F202 WeakPolarHBondContact O-CD2 3.45Å; L198-F202 WeakPolarHBondContact O-CG 3.42Å; L198-F202 PolarHBondContact O-N 2.86Å; V199-F202 CarbonylContact O-C 3.55Å; V199-F202 PolarHBondContact O-N 3.1Å; F202-L207 HydrophobicContact CB-CD1 4.36Å; F202-L207 HydrophobicContact CB-CD2 4.03Å; F202-L207 HydrophobicContact CB-CG 4.11Å; F202-L207 HydrophobicContact CD1-CD2 4.21Å; F202-L207 HydrophobicContact CG-CD2 4.31Å; F202-L207 WeakPolarHBondContact O-CD1 3.41Å; F202-L210 HydrophobicContact CE1-CD1 4.4Å; F202-W266 AromaticContact CE1-CH2 3.76Å; F202-W266 HydrophobicContact CE1-CH2 3.76Å; F202-W266 HydrophobicContact CE1-CZ3 4.03Å; F202-W266 HydrophobicContact CZ-CH2 4Å; F202-W266 AromaticContact CZ-CZ3 3.84Å; F202-W266 HydrophobicContact CZ-CZ3 3.84Å; F202-A296 HydrophobicContact CB-CB 3.94Å; F202-A296 HydrophobicContact CD2-CB 4.18Å; F202-A296 HydrophobicContact CG-CB 4.24Å; F202-V297 HydrophobicContact CE2-CG2 3.94Å; F202-V297 HydrophobicContact CZ-CG2 4.03Å; F202-I300 HydrophobicContact CE1-CD1 4.43Å
203	D	92.9	Very high	94.9	Very high	57 Å²	57	32 Å²	32	31%	0.305	18%	0.184	S	C	.	.			trans	-60.4	161.2	168.3	71.1	40.4	0	0	0	112	E205 S206 L207	D203-E205 PolarHBondContact O-N 3.06Å; D203-E205 PolarHBondContact OD1-N 2.82Å; D203-E205 VanDerWaalsContact OD1-N 3.14Å; D203-S206 PolarHBondContact O-N 3.44Å; D203-S206 WeakPolarHBondContact OD1-CB 3.47Å; D203-S206 PolarHBondContact OD1-N 3.5Å; D203-S206 PolarHBondContact OD1-OG 3.38Å; D203-S206 PolarHBondContact OD2-OG 2.79Å; D203-L207 WeakPolarHBondContact O-CB 3.42Å; D203-L207 WeakPolarHBondContact O-CG 3.48Å; D203-L207 PolarHBondContact O-N 2.98Å
204	P	94.2	Very high	95	Very high	114 Å²	114	31.3 Å²	31.3	74%	0.74	18%	0.179	S	C	*	.	H	α-helix	trans	-60.2	-28.4	-175.6	-26.7	36.3	0	0	0	114.7	S208	P204-S208 VanDerWaalsContact O-CB 3.32Å; P204-S208 WeakPolarHBondContact O-CB 3.25Å; P204-S208 PolarHBondContact O-N 3.27Å
205	E	94	Very high	94.9	Very high	67 Å²	67	31.2 Å²	31.2	31%	0.313	18%	0.178	S	C	.	.	H	α-helix	trans	-77.1	-45.3	179.5	-167.2	-176.9	136.9	0	0	110.9	I16 I18 D203 L207 S208 S209	I16-E205 VanDerWaalsContact CB-OE1 3.32Å; I16-E205 WeakPolarHBondContact CB-OE1 3.35Å; I16-E205 HydrophobicContact CD1-CG 4.48Å; I16-E205 WeakPolarHBondContact CG2-OE1 3.26Å; I18-E205 HydrophobicContact CD1-CG 4.47Å; I18-E205 WeakPolarHBondContact CD1-OE1 3.23Å; I18-E205 WeakPolarHBondContact CG1-OE1 3.46Å; D203-E205 PolarHBondContact O-N 3.06Å; D203-E205 PolarHBondContact OD1-N 2.82Å; D203-E205 VanDerWaalsContact OD1-N 3.14Å; E205-L207 VanDerWaalsContact C-N 3.33Å; E205-L207 PolarHBondContact O-N 2.86Å; E205-S208 WeakPolarHBondContact O-CB 3.24Å; E205-S208 PolarHBondContact O-N 2.79Å; E205-S209 WeakPolarHBondContact O-CB 3.23Å; E205-S209 PolarHBondContact O-N 3.26Å
206	S	93.3	Very high	94.7	Very high	22 Å²	22	33.3 Å²	33.3	15%	0.154	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-40.2	175.4	-61	0	0	0	0	111	D203 L210	D203-S206 PolarHBondContact O-N 3.44Å; D203-S206 WeakPolarHBondContact OD1-CB 3.47Å; D203-S206 PolarHBondContact OD1-N 3.5Å; D203-S206 PolarHBondContact OD1-OG 3.38Å; D203-S206 PolarHBondContact OD2-OG 2.79Å; S206-L210 VanDerWaalsContact O-CB 3.29Å; S206-L210 WeakPolarHBondContact O-CB 3.12Å; S206-L210 WeakPolarHBondContact O-CD1 3.1Å; S206-L210 VanDerWaalsContact O-CG 3.22Å; S206-L210 WeakPolarHBondContact O-CG 3.28Å; S206-L210 PolarHBondContact O-N 2.69Å
207	L	95.5	Very high	94.5	Very high	30 Å²	30	33 Å²	33	16%	0.157	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-42.7	172.2	-74.6	175	0	0	0	112.9	F202 D203 E205 S211 A296 I300	F202-L207 HydrophobicContact CB-CD1 4.36Å; F202-L207 HydrophobicContact CB-CD2 4.03Å; F202-L207 HydrophobicContact CB-CG 4.11Å; F202-L207 HydrophobicContact CD1-CD2 4.21Å; F202-L207 HydrophobicContact CG-CD2 4.31Å; F202-L207 WeakPolarHBondContact O-CD1 3.41Å; D203-L207 WeakPolarHBondContact O-CB 3.42Å; D203-L207 WeakPolarHBondContact O-CG 3.48Å; D203-L207 PolarHBondContact O-N 2.98Å; E205-L207 VanDerWaalsContact C-N 3.33Å; E205-L207 PolarHBondContact O-N 2.86Å; L207-S211 VanDerWaalsContact O-CB 3.27Å; L207-S211 WeakPolarHBondContact O-CB 3.48Å; L207-S211 PolarHBondContact O-N 3.25Å; L207-S211 PolarHBondContact O-OG 3.23Å; L207-A296 HydrophobicContact CD1-CB 4.08Å; L207-A296 HydrophobicContact CD2-CB 3.99Å; L207-I300 HydrophobicContact CD2-CD1 3.77Å; L207-I300 HydrophobicContact CD2-CG1 3.52Å
208	S	95.3	Very high	94.3	Very high	59 Å²	59	34.3 Å²	34.3	41%	0.413	19%	0.192	S	C	.	.	H	α-helix	trans	-63.2	-48.6	175.6	-173.9	0	0	0	0	111.3	P204 E205 S211 Q212	P204-S208 VanDerWaalsContact O-CB 3.32Å; P204-S208 WeakPolarHBondContact O-CB 3.25Å; P204-S208 PolarHBondContact O-N 3.27Å; E205-S208 WeakPolarHBondContact O-CB 3.24Å; E205-S208 PolarHBondContact O-N 2.79Å; S208-S211 PolarHBondContact O-N 3.16Å; S208-Q212 WeakPolarHBondContact O-CG 3.2Å; S208-Q212 PolarHBondContact O-N 3.12Å
209	S	94.9	Very high	94.1	Very high	47 Å²	47	35.5 Å²	35.5	33%	0.329	20%	0.196	S	C	.	.	H	α-helix	trans	-59.4	-48.5	178	-175.1	0	0	0	0	112.1	E205 S211 Q212 L213	E205-S209 WeakPolarHBondContact O-CB 3.23Å; E205-S209 PolarHBondContact O-N 3.26Å; S209-S211 PolarHBondContact O-N 2.86Å; S209-Q212 PolarHBondContact O-N 3.45Å; S209-L213 WeakPolarHBondContact O-CB 3.27Å; S209-L213 VanDerWaalsContact O-CG 3.27Å; S209-L213 WeakPolarHBondContact O-CG 3.11Å; S209-L213 PolarHBondContact O-N 3.18Å
210	L	96.5	Very high	93.7	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-40.4	176.3	-73.7	168.7	0	0	0	111.9	I175 F202 S206 L213 Y214 W266 I300	I175-L210 HydrophobicContact CD1-CD1 4.45Å; F202-L210 HydrophobicContact CE1-CD1 4.4Å; S206-L210 VanDerWaalsContact O-CB 3.29Å; S206-L210 WeakPolarHBondContact O-CB 3.12Å; S206-L210 WeakPolarHBondContact O-CD1 3.1Å; S206-L210 VanDerWaalsContact O-CG 3.22Å; S206-L210 WeakPolarHBondContact O-CG 3.28Å; S206-L210 PolarHBondContact O-N 2.69Å; L210-L213 PolarHBondContact O-N 3.42Å; L210-Y214 HydrophobicContact CD2-CE2 4.25Å; L210-Y214 WeakPolarHBondContact O-CB 3.29Å; L210-Y214 VanDerWaalsContact O-CD2 3.3Å; L210-Y214 WeakPolarHBondContact O-CD2 3.5Å; L210-Y214 PolarHBondContact O-N 3.49Å; L210-W266 HydrophobicContact CD1-CH2 4.14Å; L210-W266 HydrophobicContact CD1-CZ2 3.78Å; L210-W266 HydrophobicContact CD2-CZ2 3.97Å; L210-W266 HydrophobicContact CG-CZ2 4.36Å; L210-I300 HydrophobicContact CB-CD1 4.23Å; L210-I300 HydrophobicContact CB-CG1 4.48Å; L210-I300 HydrophobicContact CB-CG2 4.21Å; L210-I300 HydrophobicContact CD1-CD1 3.99Å
211	S	96.5	Very high	93.5	Very high	7 Å²	7	34.1 Å²	34.1	5%	0.049	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-43.8	177	-60.9	0	0	0	0	112.3	L207 S208 S209 G215 S303	L207-S211 VanDerWaalsContact O-CB 3.27Å; L207-S211 WeakPolarHBondContact O-CB 3.48Å; L207-S211 PolarHBondContact O-N 3.25Å; L207-S211 PolarHBondContact O-OG 3.23Å; S208-S211 PolarHBondContact O-N 3.16Å; S209-S211 PolarHBondContact O-N 2.86Å; S211-G215 PolarHBondContact O-N 2.97Å; S211-S303 WeakPolarHBondContact OG-CB 3.34Å
212	Q	95.1	Very high	93.2	Very high	90 Å²	90	39.4 Å²	39.4	42%	0.421	21%	0.212	S	C	.	.	H	α-helix	trans	-62.8	-52.4	175.3	-71.7	176.6	9.2	0	0	111.4	S208 S209 Y214 G215 H216 I307	S208-Q212 WeakPolarHBondContact O-CG 3.2Å; S208-Q212 PolarHBondContact O-N 3.12Å; S209-Q212 PolarHBondContact O-N 3.45Å; Q212-Y214 PolarHBondContact O-N 3.01Å; Q212-G215 PolarHBondContact O-N 3.32Å; Q212-H216 PolarHBondContact O-CD2 3.08Å; Q212-H216 PolarHBondContact O-N 3.41Å; Q212-I307 HydrophobicContact CG-CD1 4.26Å
213	L	94.8	Very high	92.8	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-54.5	-53.4	179.2	-72.1	169.9	0	0	0	111.1	C164 E167 S209 L210 G215 H216 F217	C164-L213 HydrophobicContact CB-CD2 3.66Å; E167-L213 HydrophobicContact CB-CD1 4.32Å; E167-L213 HydrophobicContact CB-CD2 3.61Å; S209-L213 WeakPolarHBondContact O-CB 3.27Å; S209-L213 VanDerWaalsContact O-CG 3.27Å; S209-L213 WeakPolarHBondContact O-CG 3.11Å; S209-L213 PolarHBondContact O-N 3.18Å; L210-L213 PolarHBondContact O-N 3.42Å; L213-G215 VanDerWaalsContact C-N 3.33Å; L213-G215 PolarHBondContact O-N 3.07Å; L213-H216 PolarHBondContact O-N 3.35Å; L213-F217 VanDerWaalsContact O-CD2 3.31Å; L213-F217 WeakPolarHBondContact O-CD2 3.25Å; L213-F217 PolarHBondContact O-N 2.98Å
214	Y	95.5	Very high	92.7	Very high	8 Å²	8	38.6 Å²	38.6	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-33.2	-179.3	-81.5	-99.8	0	0	0	112.6	Y120 L168 H172 L210 Q212 F217 L218 I262 R265 W266	Y120-Y214 PolarHBondContact OH-OH 2.92Å; L168-Y214 HydrophobicContact CD1-CD2 4.21Å; L168-Y214 HydrophobicContact CD1-CE2 3.43Å; L168-Y214 VanDerWaalsContact CD1-CE2 3.43Å; H172-Y214 PolarHBondContact CE1-OH 3.38Å; H172-Y214 AromaticContact NE2-CE2 3.52Å; H172-Y214 AromaticContact NE2-CZ 3.56Å; H172-Y214 PolarHBondContact NE2-OH 3.3Å; L210-Y214 HydrophobicContact CD2-CE2 4.25Å; L210-Y214 WeakPolarHBondContact O-CB 3.29Å; L210-Y214 VanDerWaalsContact O-CD2 3.3Å; L210-Y214 WeakPolarHBondContact O-CD2 3.5Å; L210-Y214 PolarHBondContact O-N 3.49Å; Q212-Y214 PolarHBondContact O-N 3.01Å; Y214-F217 PolarHBondContact O-N 2.69Å; Y214-L218 WeakPolarHBondContact O-CB 3.32Å; Y214-L218 VanDerWaalsContact O-CG 3.26Å; Y214-L218 WeakPolarHBondContact O-CG 3.31Å; Y214-L218 PolarHBondContact O-N 3Å; Y214-I262 HydrophobicContact CE1-CG2 4.37Å; Y214-I262 WeakPolarHBondContact CE1-O 3.4Å; Y214-R265 HydrophobicContact CE1-CB 4.37Å; Y214-W266 AromaticContact CD1-CD1 3.63Å; Y214-W266 AromaticContact CD1-NE1 3.93Å; Y214-W266 AromaticContact CD2-CD1 3.91Å; Y214-W266 AromaticContact CD2-NE1 3.39Å; Y214-W266 AromaticContact CE1-CD1 3.53Å; Y214-W266 AromaticContact CE1-NE1 3.65Å; Y214-W266 AromaticContact CE2-CD1 3.82Å; Y214-W266 AromaticContact CE2-NE1 3.07Å; Y214-W266 AromaticContact CG-CD1 3.81Å; Y214-W266 AromaticContact CG-NE1 3.8Å; Y214-W266 AromaticContact CZ-CD1 3.63Å; Y214-W266 AromaticContact CZ-NE1 3.22Å
215	G	93.8	Very high	92.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-43.8	172	0	0	0	0	0	113.1	S211 Q212 L213 L218 Y219	S211-G215 PolarHBondContact O-N 2.97Å; Q212-G215 PolarHBondContact O-N 3.32Å; L213-G215 VanDerWaalsContact C-N 3.33Å; L213-G215 PolarHBondContact O-N 3.07Å; G215-L218 PolarHBondContact O-N 2.84Å; G215-Y219 PolarHBondContact O-N 3.44Å
216	H	91.3	Very high	92.1	Very high	44 Å²	44	41.4 Å²	41.4	20%	0.204	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-44.4	172.5	-78.2	-78.1	0	0	0	112.1	Q212 L213 L218 Y219 A220 F311	Q212-H216 PolarHBondContact O-CD2 3.08Å; Q212-H216 PolarHBondContact O-N 3.41Å; L213-H216 PolarHBondContact O-N 3.35Å; H216-L218 PolarHBondContact O-N 3.13Å; H216-Y219 PolarHBondContact O-N 3.03Å; H216-A220 VanDerWaalsContact O-CB 3.29Å; H216-A220 WeakPolarHBondContact O-CB 3.49Å; H216-A220 PolarHBondContact O-N 3.48Å; H216-F311 AromaticContact CE1-CE2 3.67Å; H216-F311 AromaticContact CE1-CZ 3.26Å; H216-F311 WeakPolarHBondContact CE1-CZ 3.23Å; H216-F311 AromaticContact ND1-CE2 3.68Å; H216-F311 AromaticContact ND1-CZ 3.7Å; H216-F311 AromaticContact NE2-CZ 3.74Å
217	F	90.9	Very high	92	Very high	4 Å²	4	41 Å²	41	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-40.5	176.7	-89.4	-82.9	0	0	0	112.6	P163 C164 I165 L168 L213 Y214 A220 Q221 Y259 I262	P163-F217 WeakPolarHBondContact O-CE2 3.35Å; P163-F217 WeakPolarHBondContact O-CZ 3.48Å; C164-F217 HydrophobicContact CB-CE2 4Å; I165-F217 HydrophobicContact CD1-CE1 3.83Å; I165-F217 HydrophobicContact CD1-CZ 3.67Å; I165-F217 HydrophobicContact CG1-CE1 4.35Å; I165-F217 HydrophobicContact CG1-CZ 4.01Å; L168-F217 HydrophobicContact CB-CE2 3.92Å; L168-F217 HydrophobicContact CB-CZ 4.24Å; L168-F217 HydrophobicContact CD1-CE2 4.49Å; L168-F217 HydrophobicContact CD2-CD2 4.24Å; L168-F217 HydrophobicContact CD2-CE1 4.21Å; L168-F217 HydrophobicContact CD2-CE2 3.62Å; L168-F217 HydrophobicContact CD2-CZ 3.59Å; L168-F217 HydrophobicContact CG-CE2 4.21Å; L213-F217 VanDerWaalsContact O-CD2 3.31Å; L213-F217 WeakPolarHBondContact O-CD2 3.25Å; L213-F217 PolarHBondContact O-N 2.98Å; Y214-F217 PolarHBondContact O-N 2.69Å; F217-A220 PolarHBondContact O-N 3.45Å; F217-Q221 WeakPolarHBondContact O-CB 3.27Å; F217-Q221 PolarHBondContact O-N 3.22Å; F217-Y259 HydrophobicContact CD1-CD1 4.4Å; F217-Y259 HydrophobicContact CD1-CE1 4.14Å; F217-Y259 HydrophobicContact CE1-CD1 4.5Å; F217-Y259 AromaticContact CE1-CE1 3.9Å; F217-Y259 HydrophobicContact CE1-CE1 3.9Å; F217-I262 HydrophobicContact CB-CG2 4.5Å; F217-I262 HydrophobicContact CD1-CG2 3.98Å; F217-I262 HydrophobicContact CE1-CD1 4.09Å; F217-I262 HydrophobicContact CE1-CG2 4.38Å; F217-I262 HydrophobicContact CG-CG2 4.14Å
218	L	92	Very high	91.8	Very high	36 Å²	36	39.7 Å²	39.7	19%	0.188	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-50.5	175.1	-75.3	169.6	0	0	0	111.2	Y214 G215 H216 A220 Q221 V263 L308	Y214-L218 WeakPolarHBondContact O-CB 3.32Å; Y214-L218 VanDerWaalsContact O-CG 3.26Å; Y214-L218 WeakPolarHBondContact O-CG 3.31Å; Y214-L218 PolarHBondContact O-N 3Å; G215-L218 PolarHBondContact O-N 2.84Å; H216-L218 PolarHBondContact O-N 3.13Å; L218-A220 VanDerWaalsContact C-N 3.3Å; L218-A220 PolarHBondContact O-N 2.86Å; L218-Q221 VanDerWaalsContact O-CB 3.3Å; L218-Q221 WeakPolarHBondContact O-CB 3.28Å; L218-Q221 PolarHBondContact O-N 2.79Å; L218-Q221 VanDerWaalsContact O-N 3.1Å; L218-V263 HydrophobicContact CD2-CG1 3.71Å; L218-V263 HydrophobicContact CD2-CG2 4.27Å; L218-L308 HydrophobicContact CB-CB 4.14Å; L218-L308 HydrophobicContact CB-CD1 4.23Å; L218-L308 HydrophobicContact CB-CD2 4.21Å; L218-L308 HydrophobicContact CB-CG 4.42Å; L218-L308 HydrophobicContact CD1-CB 4.48Å
219	Y	90.4	Very high	91.5	Very high	33 Å²	33	41.8 Å²	41.8	13%	0.129	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-35.8	178.7	-179	-109.2	0	0	0	112.9	G215 H216 R223 L308 F311 E312	G215-Y219 PolarHBondContact O-N 3.44Å; H216-Y219 PolarHBondContact O-N 3.03Å; Y219-R223 VanDerWaalsContact CE1-NH1 3.34Å; Y219-R223 VanDerWaalsContact CE2-NH1 3.26Å; Y219-R223 PolarHBondContact O-NH1 2.69Å; Y219-R223 PolarHBondContact OH-NH2 2.81Å; Y219-L308 HydrophobicContact CD2-CD1 4.34Å; Y219-F311 HydrophobicContact CD1-CB 3.98Å; Y219-F311 HydrophobicContact CD1-CG 4.35Å; Y219-F311 HydrophobicContact CD2-CB 3.39Å; Y219-F311 HydrophobicContact CD2-CG 4.48Å; Y219-F311 HydrophobicContact CE1-CB 4.07Å; Y219-F311 HydrophobicContact CE2-CB 3.48Å; Y219-F311 VanDerWaalsContact CE2-CB 3.48Å; Y219-F311 VanDerWaalsContact CE2-O 3.26Å; Y219-F311 WeakPolarHBondContact CE2-O 3.46Å; Y219-F311 HydrophobicContact CG-CB 3.61Å; Y219-F311 HydrophobicContact CG-CD2 4.41Å; Y219-F311 HydrophobicContact CG-CG 4.26Å; Y219-F311 PolarHBondContact OH-O 2.68Å; Y219-E312 HydrophobicContact CD2-CG 3.83Å; Y219-E312 HydrophobicContact CE2-CG 3.89Å
220	A	88.6	Confident	91.2	Very high	16 Å²	16	40 Å²	40	13%	0.132	18%	0.181	C	C	.	.	H	α-helix	trans	-74.2	-26.7	175.3	0	0	0	0	0	112.8	P163 H216 F217 L218 K222 R223 I224	P163-A220 HydrophobicContact CG-CB 3.9Å; H216-A220 VanDerWaalsContact O-CB 3.29Å; H216-A220 WeakPolarHBondContact O-CB 3.49Å; H216-A220 PolarHBondContact O-N 3.48Å; F217-A220 PolarHBondContact O-N 3.45Å; L218-A220 VanDerWaalsContact C-N 3.3Å; L218-A220 PolarHBondContact O-N 2.86Å; A220-K222 VanDerWaalsContact C-N 3.34Å; A220-K222 PolarHBondContact O-N 3.19Å; A220-K222 VanDerWaalsContact O-N 3.15Å; A220-R223 PolarHBondContact O-N 3.36Å; A220-I224 HydrophobicContact CB-CD1 3.59Å; A220-I224 HydrophobicContact CB-CG1 4.13Å; A220-I224 WeakPolarHBondContact O-CG1 3.49Å; A220-I224 PolarHBondContact O-N 2.97Å
221	Q	89.2	Confident	90.9	Very high	39 Å²	39	39.7 Å²	39.7	18%	0.182	18%	0.18	C	C	.	.	H	α-helix	trans	-52.6	-44.8	-167.5	-162.4	-158.9	36.7	0	0	114	F217 L218 R225 V263	F217-Q221 WeakPolarHBondContact O-CB 3.27Å; F217-Q221 PolarHBondContact O-N 3.22Å; L218-Q221 VanDerWaalsContact O-CB 3.3Å; L218-Q221 WeakPolarHBondContact O-CB 3.28Å; L218-Q221 PolarHBondContact O-N 2.79Å; L218-Q221 VanDerWaalsContact O-N 3.1Å; Q221-R225 WeakPolarHBondContact O-CB 3.46Å; Q221-R225 PolarHBondContact O-N 2.83Å; Q221-V263 HydrophobicContact CG-CG2 4.09Å
222	K	86.8	Confident	90.5	Very high	127 Å²	127	43.1 Å²	43.1	55%	0.552	19%	0.194	S	C	*	.	H	α-helix	trans	-62.6	-49.9	178.3	179.5	-178.4	169.7	-173.9	0	111.3	A220 I224 R225 E226	A220-K222 VanDerWaalsContact C-N 3.34Å; A220-K222 PolarHBondContact O-N 3.19Å; A220-K222 VanDerWaalsContact O-N 3.15Å; K222-I224 PolarHBondContact O-N 2.93Å; K222-R225 WeakPolarHBondContact O-CB 3.25Å; K222-R225 PolarHBondContact O-N 2.86Å; K222-R225 VanDerWaalsContact O-N 3.16Å; K222-E226 WeakPolarHBondContact CE-OE1 2.87Å; K222-E226 WeakPolarHBondContact CG-OE1 3.46Å; K222-E226 WeakPolarHBondContact O-CG 3.46Å; K222-E226 PolarHBondContact O-N 3.09Å
223	R	87.3	Confident	90.1	Very high	52 Å²	52	44.3 Å²	44.3	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-41.2	-179.9	-62.4	171.5	177.7	93.5	-7	111.3	Y219 A220 R225 E226 R227	Y219-R223 VanDerWaalsContact CE1-NH1 3.34Å; Y219-R223 VanDerWaalsContact CE2-NH1 3.26Å; Y219-R223 PolarHBondContact O-NH1 2.69Å; Y219-R223 PolarHBondContact OH-NH2 2.81Å; A220-R223 PolarHBondContact O-N 3.36Å; R223-R225 VanDerWaalsContact C-N 3.34Å; R223-R225 PolarHBondContact O-N 2.71Å; R223-E226 PolarHBondContact O-N 3.45Å; R223-R227 VanDerWaalsContact O-CB 3.25Å; R223-R227 WeakPolarHBondContact O-CB 3.33Å; R223-R227 WeakPolarHBondContact O-CD 3.44Å; R223-R227 WeakPolarHBondContact O-CG 3.19Å; R223-R227 PolarHBondContact O-N 3.34Å
224	I	90.1	Very high	89.9	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-44	173.8	-68.5	169.7	0	0	0	110.2	L161 P163 A220 K222 E226 R227 L228 Y259	L161-I224 WeakPolarHBondContact O-CD1 3.44Å; P163-I224 HydrophobicContact CG-CD1 3.99Å; A220-I224 HydrophobicContact CB-CD1 3.59Å; A220-I224 HydrophobicContact CB-CG1 4.13Å; A220-I224 WeakPolarHBondContact O-CG1 3.49Å; A220-I224 PolarHBondContact O-N 2.97Å; K222-I224 PolarHBondContact O-N 2.93Å; I224-E226 PolarHBondContact O-N 2.88Å; I224-R227 PolarHBondContact O-N 3.35Å; I224-L228 HydrophobicContact CG2-CD1 3.72Å; I224-L228 HydrophobicContact CG2-CG 4.11Å; I224-L228 VanDerWaalsContact O-CB 3.26Å; I224-L228 WeakPolarHBondContact O-CB 3.32Å; I224-L228 WeakPolarHBondContact O-CG 3.34Å; I224-L228 PolarHBondContact O-N 2.9Å; I224-Y259 HydrophobicContact CD1-CD1 4.19Å; I224-Y259 HydrophobicContact CD1-CE1 3.71Å; I224-Y259 HydrophobicContact CG2-CD1 4.31Å; I224-Y259 HydrophobicContact CG2-CD2 3.79Å; I224-Y259 HydrophobicContact CG2-CE1 4.25Å; I224-Y259 HydrophobicContact CG2-CE2 3.77Å; I224-Y259 HydrophobicContact CG2-CG 4.12Å
225	R	89	Confident	89.7	Confident	140 Å²	140	49.2 Å²	49.2	53%	0.528	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-43.9	176.6	-170.3	-174	-60.1	160.2	5.9	112.2	Q221 K222 R223 Q229	Q221-R225 WeakPolarHBondContact O-CB 3.46Å; Q221-R225 PolarHBondContact O-N 2.83Å; K222-R225 WeakPolarHBondContact O-CB 3.25Å; K222-R225 PolarHBondContact O-N 2.86Å; K222-R225 VanDerWaalsContact O-N 3.16Å; R223-R225 VanDerWaalsContact C-N 3.34Å; R223-R225 PolarHBondContact O-N 2.71Å; R225-Q229 WeakPolarHBondContact O-CB 3.5Å; R225-Q229 PolarHBondContact O-N 3.02Å
226	E	88.4	Confident	89.6	Confident	100 Å²	100	56.3 Å²	56.3	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-66.4	-46.9	177.9	-70.4	159.5	173.3	0	0	111.2	K222 R223 I224 Q229 A230	K222-E226 WeakPolarHBondContact CE-OE1 2.87Å; K222-E226 WeakPolarHBondContact CG-OE1 3.46Å; K222-E226 WeakPolarHBondContact O-CG 3.46Å; K222-E226 PolarHBondContact O-N 3.09Å; R223-E226 PolarHBondContact O-N 3.45Å; I224-E226 PolarHBondContact O-N 2.88Å; E226-Q229 PolarHBondContact O-N 3.12Å; E226-A230 PolarHBondContact O-N 3.27Å
227	R	89.9	Confident	89.6	Confident	13 Å²	13	54.2 Å²	54.2	5%	0.049	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-42	176.9	-68.9	164	-176.5	-179.4	-3.5	112.7	L146 D149 L151 A160 L161 R223 I224 Q229 A230 C231	L146-R227 HydrophobicContact CD1-CB 4.36Å; L146-R227 HydrophobicContact CD1-CG 4.26Å; L146-R227 HydrophobicContact CD2-CB 4.36Å; L146-R227 HydrophobicContact CD2-CG 3.75Å; D149-R227 IonicContact OD1-NH2 3.21Å; D149-R227 PolarHBondContact OD1-NH2 2.89Å; D149-R227 IonicContact OD2-CZ 3.92Å; D149-R227 VanDerWaalsContact OD2-CZ 3.23Å; D149-R227 IonicContact OD2-NE 2.87Å; D149-R227 PolarHBondContact OD2-NE 3.16Å; D149-R227 IonicContact OD2-NH2 2.98Å; D149-R227 PolarHBondContact OD2-NH2 3.43Å; L151-R227 PolarHBondContact O-NH2 3.33Å; A160-R227 PolarHBondContact O-NH1 3.42Å; L161-R227 HydrophobicContact CD2-CB 3.68Å; R223-R227 VanDerWaalsContact O-CB 3.25Å; R223-R227 WeakPolarHBondContact O-CB 3.33Å; R223-R227 WeakPolarHBondContact O-CD 3.44Å; R223-R227 WeakPolarHBondContact O-CG 3.19Å; R223-R227 PolarHBondContact O-N 3.34Å; I224-R227 PolarHBondContact O-N 3.35Å; R227-Q229 VanDerWaalsContact C-N 3.31Å; R227-Q229 PolarHBondContact O-N 3.08Å; R227-A230 PolarHBondContact O-N 2.82Å; R227-C231 WeakPolarHBondContact O-CB 3.46Å; R227-C231 PolarHBondContact O-N 3.26Å; R227-C231 PolarHBondContact O-SG 2.97Å
228	L	90.8	Very high	89.7	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-35.6	173.3	-72.3	176.1	0	0	0	111.8	L161 I224 C231 K232 F241 L255 E256 Y259	L161-L228 HydrophobicContact CD1-CD2 4.43Å; L161-L228 HydrophobicContact CD2-CD2 3.79Å; L161-L228 HydrophobicContact CD2-CG 3.9Å; I224-L228 HydrophobicContact CG2-CD1 3.72Å; I224-L228 HydrophobicContact CG2-CG 4.11Å; I224-L228 VanDerWaalsContact O-CB 3.26Å; I224-L228 WeakPolarHBondContact O-CB 3.32Å; I224-L228 WeakPolarHBondContact O-CG 3.34Å; I224-L228 PolarHBondContact O-N 2.9Å; L228-C231 PolarHBondContact O-N 3.38Å; L228-K232 WeakPolarHBondContact O-CG 3.16Å; L228-K232 PolarHBondContact O-N 2.65Å; L228-K232 VanDerWaalsContact O-N 3.14Å; L228-F241 HydrophobicContact CD2-CE2 3.96Å; L228-F241 HydrophobicContact CD2-CZ 3.72Å; L228-L255 HydrophobicContact CD1-CG 4.22Å; L228-L255 HydrophobicContact CD2-CD2 3.7Å; L228-L255 HydrophobicContact CD2-CG 4.27Å; L228-E256 HydrophobicContact CD1-CG 3.92Å; L228-Y259 HydrophobicContact CD1-CD2 4.14Å; L228-Y259 HydrophobicContact CD1-CE2 4.4Å
229	Q	89.8	Confident	89.8	Confident	104 Å²	104	56.4 Å²	56.4	49%	0.486	28%	0.281	S	S	.	.	H	α-helix	trans	-68.2	-37.8	175.3	-170.1	59.2	25.3	0	0	112.3	R225 E226 R227	R225-Q229 WeakPolarHBondContact O-CB 3.5Å; R225-Q229 PolarHBondContact O-N 3.02Å; E226-Q229 PolarHBondContact O-N 3.12Å; R227-Q229 VanDerWaalsContact C-N 3.31Å; R227-Q229 PolarHBondContact O-N 3.08Å
230	A	88.2	Confident	90	Very high	10 Å²	10	55.7 Å²	55.7	8%	0.083	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-41.5	170.8	0	0	0	0	0	112	V143 L146 E226 R227 K232 N233	V143-A230 HydrophobicContact CG1-CB 3.95Å; L146-A230 HydrophobicContact CD1-CB 4.21Å; L146-A230 HydrophobicContact CD2-CB 4.04Å; L146-A230 HydrophobicContact CG-CB 3.78Å; E226-A230 PolarHBondContact O-N 3.27Å; R227-A230 PolarHBondContact O-N 2.82Å; A230-K232 VanDerWaalsContact C-N 3.27Å; A230-K232 PolarHBondContact O-N 3.19Å; A230-N233 WeakPolarHBondContact O-CB 3.24Å; A230-N233 PolarHBondContact O-N 2.57Å
231	C	90	Very high	90.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.5	-32.7	177.7	-73	0	0	0	0	113.7	R227 L228 N233 H234 I237 F241	R227-C231 WeakPolarHBondContact O-CB 3.46Å; R227-C231 PolarHBondContact O-N 3.26Å; R227-C231 PolarHBondContact O-SG 2.97Å; L228-C231 PolarHBondContact O-N 3.38Å; C231-N233 PolarHBondContact O-N 3.01Å; C231-H234 PolarHBondContact O-N 2.75Å; C231-H234 VanDerWaalsContact O-N 3.16Å; C231-I237 HydrophobicContact CB-CB 4.45Å; C231-I237 HydrophobicContact CB-CD1 4.48Å; C231-I237 HydrophobicContact CB-CG2 3.83Å; C231-F241 HydrophobicContact CB-CE2 3.91Å; C231-F241 HydrophobicContact CB-CZ 4.34Å
232	K	88.3	Confident	90.2	Very high	78 Å²	78	59.4 Å²	59.4	34%	0.339	29%	0.292	S	S	.	.	H	α-helix	trans	-62.4	-27.5	173.7	-71.5	177.9	-166.8	98.3	0	113.5	L228 A230 A238 E256	L228-K232 WeakPolarHBondContact O-CG 3.16Å; L228-K232 PolarHBondContact O-N 2.65Å; L228-K232 VanDerWaalsContact O-N 3.14Å; A230-K232 VanDerWaalsContact C-N 3.27Å; A230-K232 PolarHBondContact O-N 3.19Å; K232-A238 WeakPolarHBondContact O-CB 3.3Å; K232-E256 WeakPolarHBondContact CE-OE1 3.35Å; K232-E256 IonicContact NZ-OE1 2.73Å; K232-E256 PolarHBondContact NZ-OE1 3.45Å
233	N	87.5	Confident	90.4	Very high	116 Å²	116	59.6 Å²	59.6	62%	0.62	30%	0.295	S	S	*	.	H	α-helix	trans	-81.3	-20.5	178.1	-58.4	-25.2	0	0	0	111.7	A230 C231 A235	A230-N233 WeakPolarHBondContact O-CB 3.24Å; A230-N233 PolarHBondContact O-N 2.57Å; C231-N233 PolarHBondContact O-N 3.01Å; N233-A235 PolarHBondContact O-N 3.41Å
234	H	90.4	Very high	90.6	Very high	37 Å²	37	57.5 Å²	57.5	17%	0.171	29%	0.289	C	S	.	.	S	Bend	trans	-88	103	179.4	-172.9	-102.3	0	0	0	111	V138 S142 V143 C231 R236 I237 A238	V138-H234 WeakPolarHBondContact CG1-CE1 3.41Å; S142-H234 PolarHBondContact O-CD2 3.25Å; S142-H234 VanDerWaalsContact O-CD2 3.29Å; S142-H234 PolarHBondContact OG-NE2 3.42Å; S142-H234 VanDerWaalsContact OG-NE2 3.08Å; V143-H234 HydrophobicContact CG1-CB 4.33Å; V143-H234 HydrophobicContact CG2-CB 4.2Å; C231-H234 PolarHBondContact O-N 2.75Å; C231-H234 VanDerWaalsContact O-N 3.16Å; H234-R236 VanDerWaalsContact C-N 3.26Å; H234-R236 PolarHBondContact O-N 3.31Å; H234-I237 HydrophobicContact CB-CD1 4.33Å; H234-I237 PolarHBondContact O-N 3.29Å; H234-A238 PolarHBondContact O-N 3.44Å
235	A	91	Very high	90.4	Very high	79 Å²	79	61.2 Å²	61.2	65%	0.653	30%	0.304	S	S	*	.	H	α-helix	trans	-46.6	-40.8	-168.2	0	0	0	0	0	115.3	N233 A239	N233-A235 PolarHBondContact O-N 3.41Å; A235-A239 VanDerWaalsContact O-CB 3.3Å; A235-A239 WeakPolarHBondContact O-CB 3.43Å; A235-A239 PolarHBondContact O-N 3.14Å
236	R	91.8	Very high	90.3	Very high	150 Å²	150	61 Å²	61	57%	0.566	31%	0.309	S	S	*	.	H	α-helix	trans	-67.6	-34.2	179.7	-170.6	176.3	178.1	-147	-3.2	113.4	P136 K137 H234 F240	P136-R236 HydrophobicContact CB-CG 4.48Å; K137-R236 PolarHBondContact O-NH1 3.12Å; H234-R236 VanDerWaalsContact C-N 3.26Å; H234-R236 PolarHBondContact O-N 3.31Å; R236-F240 PolarHBondContact O-N 3.26Å
237	I	92.2	Very high	90.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-82.8	-37.9	178.1	-58.1	166.7	0	0	0	109.7	F135 V138 V143 L157 C231 H234 A239 F240 F241	F135-I237 HydrophobicContact CE2-CG2 4.06Å; F135-I237 HydrophobicContact CZ-CD1 4.18Å; F135-I237 HydrophobicContact CZ-CG1 4.43Å; F135-I237 HydrophobicContact CZ-CG2 4.13Å; V138-I237 HydrophobicContact CB-CD1 4.32Å; V138-I237 HydrophobicContact CG1-CD1 4.15Å; V138-I237 HydrophobicContact CG2-CD1 4.33Å; V138-I237 HydrophobicContact CG2-CG1 4.16Å; V143-I237 HydrophobicContact CG2-CD1 4.13Å; L157-I237 HydrophobicContact CD2-CD1 3.94Å; C231-I237 HydrophobicContact CB-CB 4.45Å; C231-I237 HydrophobicContact CB-CD1 4.48Å; C231-I237 HydrophobicContact CB-CG2 3.83Å; H234-I237 HydrophobicContact CB-CD1 4.33Å; H234-I237 PolarHBondContact O-N 3.29Å; I237-A239 PolarHBondContact O-N 2.9Å; I237-F240 WeakPolarHBondContact O-CB 3.18Å; I237-F240 PolarHBondContact O-N 3.32Å; I237-F241 HydrophobicContact CG2-CD1 4.34Å; I237-F241 HydrophobicContact CG2-CD2 4.13Å; I237-F241 HydrophobicContact CG2-CE1 3.92Å; I237-F241 HydrophobicContact CG2-CE2 3.69Å; I237-F241 HydrophobicContact CG2-CG 4.44Å; I237-F241 HydrophobicContact CG2-CZ 3.57Å; I237-F241 WeakPolarHBondContact O-CG 3.43Å; I237-F241 PolarHBondContact O-N 2.95Å
238	A	92	Very high	90	Very high	30 Å²	30	62.2 Å²	62.2	25%	0.248	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-46	172.7	0	0	0	0	0	112.5	K232 H234 F241 Q242	K232-A238 WeakPolarHBondContact O-CB 3.3Å; H234-A238 PolarHBondContact O-N 3.44Å; A238-F241 PolarHBondContact O-N 3.46Å; A238-Q242 WeakPolarHBondContact O-CB 3.47Å; A238-Q242 PolarHBondContact O-N 3.03Å
239	A	93.5	Very high	89.7	Confident	56 Å²	56	66.3 Å²	66.3	46%	0.463	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-41.2	175.3	0	0	0	0	0	112.3	A235 I237 Q242 Q243	A235-A239 VanDerWaalsContact O-CB 3.3Å; A235-A239 WeakPolarHBondContact O-CB 3.43Å; A235-A239 PolarHBondContact O-N 3.14Å; I237-A239 PolarHBondContact O-N 2.9Å; A239-Q242 WeakPolarHBondContact O-CB 3.29Å; A239-Q242 PolarHBondContact O-N 3.25Å; A239-Q243 PolarHBondContact O-N 3.44Å
240	F	94.3	Very high	89.2	Confident	18 Å²	18	61.5 Å²	61.5	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-48.6	173.5	167.6	-104.6	0	0	0	112.1	L130 Y131 P134 F135 P136 R236 I237 Q242 Q243 V244	L130-F240 WeakPolarHBondContact O-CZ 3.22Å; Y131-F240 HydrophobicContact CD1-CE1 4.5Å; Y131-F240 WeakPolarHBondContact O-CZ 3.25Å; P134-F240 HydrophobicContact CB-CE2 4.19Å; P134-F240 HydrophobicContact CG-CE2 4.01Å; P134-F240 HydrophobicContact CG-CZ 4.02Å; P134-F240 WeakPolarHBondContact O-CE2 3.46Å; F135-F240 HydrophobicContact CD2-CD1 4.46Å; F135-F240 AromaticContact CD2-CE1 3.93Å; F135-F240 HydrophobicContact CD2-CE1 3.93Å; P136-F240 VanDerWaalsContact CD-CD1 3.44Å; P136-F240 HydrophobicContact CG-CB 3.62Å; P136-F240 HydrophobicContact CG-CD1 3.93Å; P136-F240 HydrophobicContact CG-CD2 4.01Å; P136-F240 HydrophobicContact CG-CG 3.58Å; R236-F240 PolarHBondContact O-N 3.26Å; I237-F240 WeakPolarHBondContact O-CB 3.18Å; I237-F240 PolarHBondContact O-N 3.32Å; F240-Q242 PolarHBondContact O-N 2.98Å; F240-Q243 WeakPolarHBondContact O-CB 3.49Å; F240-Q243 PolarHBondContact O-N 3.33Å; F240-Q243 VanDerWaalsContact O-N 3.09Å; F240-V244 HydrophobicContact CD2-CG2 4.2Å; F240-V244 HydrophobicContact CE1-CG2 4.22Å; F240-V244 HydrophobicContact CE2-CG2 3.77Å; F240-V244 HydrophobicContact CZ-CG2 3.78Å; F240-V244 WeakPolarHBondContact O-CG2 3.21Å; F240-V244 PolarHBondContact O-N 2.85Å
241	F	92.7	Very high	88.6	Confident	12 Å²	12	63.2 Å²	63.2	5%	0.053	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-33.3	175.4	-68.4	-18.4	0	0	0	112.6	Y131 F135 L228 C231 I237 A238 K245 L255	Y131-F241 AromaticContact CD1-CD1 3.97Å; Y131-F241 HydrophobicContact CD1-CD1 3.97Å; Y131-F241 HydrophobicContact CD1-CE1 4.18Å; Y131-F241 AromaticContact CE1-CD1 3.96Å; Y131-F241 HydrophobicContact CE1-CD1 3.96Å; F135-F241 HydrophobicContact CE2-CE1 4.02Å; F135-F241 HydrophobicContact CE2-CZ 4.17Å; L228-F241 HydrophobicContact CD2-CE2 3.96Å; L228-F241 HydrophobicContact CD2-CZ 3.72Å; C231-F241 HydrophobicContact CB-CE2 3.91Å; C231-F241 HydrophobicContact CB-CZ 4.34Å; I237-F241 HydrophobicContact CG2-CD1 4.34Å; I237-F241 HydrophobicContact CG2-CD2 4.13Å; I237-F241 HydrophobicContact CG2-CE1 3.92Å; I237-F241 HydrophobicContact CG2-CE2 3.69Å; I237-F241 HydrophobicContact CG2-CG 4.44Å; I237-F241 HydrophobicContact CG2-CZ 3.57Å; I237-F241 WeakPolarHBondContact O-CG 3.43Å; I237-F241 PolarHBondContact O-N 2.95Å; A238-F241 PolarHBondContact O-N 3.46Å; F241-K245 WeakPolarHBondContact O-CB 3.44Å; F241-K245 VanDerWaalsContact O-CG 3.31Å; F241-K245 WeakPolarHBondContact O-CG 3.37Å; F241-K245 PolarHBondContact O-N 2.74Å; F241-L255 HydrophobicContact CE1-CD2 4.1Å; F241-L255 HydrophobicContact CZ-CD2 4.21Å
242	Q	90.7	Very high	88	Confident	120 Å²	120	73.7 Å²	73.7	56%	0.561	37%	0.369	S	S	*	.	H	α-helix	trans	-68	-41.8	172.7	-176.3	173.1	-9.8	0	0	112	A238 A239 F240 K245 Q246	A238-Q242 WeakPolarHBondContact O-CB 3.47Å; A238-Q242 PolarHBondContact O-N 3.03Å; A239-Q242 WeakPolarHBondContact O-CB 3.29Å; A239-Q242 PolarHBondContact O-N 3.25Å; F240-Q242 PolarHBondContact O-N 2.98Å; Q242-K245 PolarHBondContact O-N 3.01Å; Q242-Q246 WeakPolarHBondContact O-CG 3.49Å; Q242-Q246 PolarHBondContact O-N 2.95Å; Q242-Q246 VanDerWaalsContact O-N 3.07Å
243	Q	91.5	Very high	87.7	Confident	131 Å²	131	71.6 Å²	71.6	61%	0.612	36%	0.36	S	S	*	.	H	α-helix	trans	-62.3	-42.2	174.5	-172.9	-176.9	7	0	0	111.8	A239 F240 Q246 N247	A239-Q243 PolarHBondContact O-N 3.44Å; F240-Q243 WeakPolarHBondContact O-CB 3.49Å; F240-Q243 PolarHBondContact O-N 3.33Å; F240-Q243 VanDerWaalsContact O-N 3.09Å; Q243-Q246 WeakPolarHBondContact O-CB 3.16Å; Q243-Q246 PolarHBondContact O-N 2.96Å; Q243-N247 PolarHBondContact O-N 3.42Å; Q243-N247 VanDerWaalsContact O-N 3.15Å
244	V	90.7	Very high	87.8	Confident	9 Å²	9	66.7 Å²	66.7	6%	0.055	34%	0.335	C	S	.	.	H	α-helix	trans	-66.8	-40.1	177	-179.4	0	0	0	0	111.4	L130 Y131 F240 Q246 N247 S250	L130-V244 HydrophobicContact CB-CG1 3.91Å; L130-V244 WeakPolarHBondContact O-CG2 3.47Å; Y131-V244 HydrophobicContact CD1-CB 4.19Å; Y131-V244 HydrophobicContact CD1-CG1 3.88Å; Y131-V244 HydrophobicContact CD1-CG2 4.3Å; Y131-V244 HydrophobicContact CD2-CG1 3.76Å; Y131-V244 HydrophobicContact CE1-CB 3.81Å; Y131-V244 HydrophobicContact CE1-CG1 3.59Å; Y131-V244 HydrophobicContact CE1-CG2 4.39Å; Y131-V244 HydrophobicContact CE2-CG1 3.49Å; Y131-V244 VanDerWaalsContact CE2-CG1 3.49Å; Y131-V244 HydrophobicContact CG-CG1 3.97Å; Y131-V244 VanDerWaalsContact CZ-CG1 3.41Å; F240-V244 HydrophobicContact CD2-CG2 4.2Å; F240-V244 HydrophobicContact CE1-CG2 4.22Å; F240-V244 HydrophobicContact CE2-CG2 3.77Å; F240-V244 HydrophobicContact CZ-CG2 3.78Å; F240-V244 WeakPolarHBondContact O-CG2 3.21Å; F240-V244 PolarHBondContact O-N 2.85Å; V244-Q246 PolarHBondContact O-N 3.34Å; V244-N247 VanDerWaalsContact O-CB 3.29Å; V244-N247 WeakPolarHBondContact O-CB 3.19Å; V244-N247 PolarHBondContact O-N 3.39Å; V244-S250 VanDerWaalsContact O-CB 3.3Å; V244-S250 WeakPolarHBondContact O-CB 3.5Å; V244-S250 PolarHBondContact O-OG 3.49Å
245	K	86.6	Confident	87.8	Confident	80 Å²	80	65 Å²	65	35%	0.348	33%	0.327	S	S	.	.	H	α-helix	trans	-63.8	-23	172.4	-75.8	173.2	177.8	179.4	0	114	F241 Q242 S250 S254	F241-K245 WeakPolarHBondContact O-CB 3.44Å; F241-K245 VanDerWaalsContact O-CG 3.31Å; F241-K245 WeakPolarHBondContact O-CG 3.37Å; F241-K245 PolarHBondContact O-N 2.74Å; Q242-K245 PolarHBondContact O-N 3.01Å; K245-S250 PolarHBondContact O-OG 2.93Å; K245-S254 VanDerWaalsContact CE-CA 3.42Å
246	Q	86.7	Confident	87.7	Confident	135 Å²	135	63.3 Å²	63.3	63%	0.631	31%	0.305	S	S	*	.	H	α-helix	trans	-81.9	-22.7	172.5	-72.4	171.4	-1.2	0	0	112.8	Q242 Q243 V244 P248	Q242-Q246 WeakPolarHBondContact O-CG 3.49Å; Q242-Q246 PolarHBondContact O-N 2.95Å; Q242-Q246 VanDerWaalsContact O-N 3.07Å; Q243-Q246 WeakPolarHBondContact O-CB 3.16Å; Q243-Q246 PolarHBondContact O-N 2.96Å; V244-Q246 PolarHBondContact O-N 3.34Å; Q246-P248 WeakPolarHBondContact O-CD 3.39Å
247	N	86.6	Confident	87.6	Confident	57 Å²	57	60.2 Å²	60.2	31%	0.305	30%	0.3	S	S	.	.	S	Bend	trans	-63.4	123.3	174.6	-174	-41.5	0	0	0	109.7	L130 Q243 V244 R249 S250	L130-N247 HydrophobicContact CD1-CB 4.34Å; Q243-N247 PolarHBondContact O-N 3.42Å; Q243-N247 VanDerWaalsContact O-N 3.15Å; V244-N247 VanDerWaalsContact O-CB 3.29Å; V244-N247 WeakPolarHBondContact O-CB 3.19Å; V244-N247 PolarHBondContact O-N 3.39Å; N247-R249 PolarHBondContact O-N 3.5Å; N247-R249 VanDerWaalsContact O-N 3.12Å; N247-R249 PolarHBondContact OD1-N 3.32Å; N247-S250 WeakPolarHBondContact O-CB 3.38Å; N247-S250 PolarHBondContact O-N 2.88Å; N247-S250 PolarHBondContact O-OG 3.31Å
248	P	84.7	Confident	87.6	Confident	83 Å²	83	60.2 Å²	60.2	54%	0.539	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-55.8	-30.8	-177.1	-28.8	36.4	0	0	0	115	Q246 S250 S251	Q246-P248 WeakPolarHBondContact O-CD 3.39Å; P248-S250 VanDerWaalsContact C-N 3.26Å; P248-S250 PolarHBondContact O-N 3.15Å; P248-S251 PolarHBondContact O-N 2.94Å
249	R	83.9	Confident	87.6	Confident	87 Å²	87	59.2 Å²	59.2	33%	0.328	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-62.4	-32.4	176.9	-77.5	-167.2	68	-159.8	-3.7	112.5	D122 I126 L130 N247 S251	D122-R249 IonicContact OD1-CZ 3.78Å; D122-R249 IonicContact OD1-NE 3.65Å; D122-R249 IonicContact OD1-NH2 2.9Å; D122-R249 PolarHBondContact OD1-NH2 2.75Å; I126-R249 HydrophobicContact CD1-CB 4.38Å; I126-R249 WeakPolarHBondContact CD1-O 3.39Å; I126-R249 HydrophobicContact CG1-CB 4.26Å; L130-R249 HydrophobicContact CD1-CB 3.92Å; N247-R249 PolarHBondContact O-N 3.5Å; N247-R249 VanDerWaalsContact O-N 3.12Å; N247-R249 PolarHBondContact OD1-N 3.32Å; R249-S251 PolarHBondContact O-N 2.82Å
250	S	79.2	Confident	87.4	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.021	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-59.6	-17.5	179.2	70.5	0	0	0	0	114	V244 K245 N247 P248 R252 K253	V244-S250 VanDerWaalsContact O-CB 3.3Å; V244-S250 WeakPolarHBondContact O-CB 3.5Å; V244-S250 PolarHBondContact O-OG 3.49Å; K245-S250 PolarHBondContact O-OG 2.93Å; N247-S250 WeakPolarHBondContact O-CB 3.38Å; N247-S250 PolarHBondContact O-N 2.88Å; N247-S250 PolarHBondContact O-OG 3.31Å; P248-S250 VanDerWaalsContact C-N 3.26Å; P248-S250 PolarHBondContact O-N 3.15Å; S250-R252 PolarHBondContact O-N 3.48Å; S250-R252 VanDerWaalsContact O-N 3.09Å; S250-R252 PolarHBondContact OG-N 3.41Å; S250-R252 VanDerWaalsContact OG-N 3.09Å; S250-K253 WeakPolarHBondContact O-CB 3.33Å; S250-K253 WeakPolarHBondContact O-CG 3.31Å; S250-K253 PolarHBondContact O-N 2.93Å
251	S	75.8	Confident	87.3	Confident	47 Å²	47	59.8 Å²	59.8	33%	0.329	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	29.4	-168.4	-168.6	0	0	0	0	112.6	P248 R249 K253	P248-S251 PolarHBondContact O-N 2.94Å; R249-S251 PolarHBondContact O-N 2.82Å; S251-K253 PolarHBondContact O-N 3.25Å
252	R	78.3	Confident	87.3	Confident	219 Å²	219	59.2 Å²	59.2	83%	0.826	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	8	-173.9	-55.4	177.9	177.6	174.2	-1.3	115.6	S250	S250-R252 PolarHBondContact O-N 3.48Å; S250-R252 VanDerWaalsContact O-N 3.09Å; S250-R252 PolarHBondContact OG-N 3.41Å; S250-R252 VanDerWaalsContact OG-N 3.09Å
253	K	82.1	Confident	87.3	Confident	34 Å²	34	55.2 Å²	55.2	15%	0.148	27%	0.266	C	S	.	.			trans	-63.2	136	177.8	-61.9	173	-171.9	176	0	110.2	Y131 S250 S251 D257 I691	Y131-K253 PolarHBondContact OH-O 2.94Å; S250-K253 WeakPolarHBondContact O-CB 3.33Å; S250-K253 WeakPolarHBondContact O-CG 3.31Å; S250-K253 PolarHBondContact O-N 2.93Å; S251-K253 PolarHBondContact O-N 3.25Å; K253-D257 HydrophobicContact CB-CB 4.42Å; K253-I691 WeakPolarHBondContact CE-O 3.47Å; K253-I691 PolarHBondContact NZ-O 3.42Å
254	S	88.5	Confident	87.3	Confident	14 Å²	14	51.8 Å²	51.8	10%	0.098	25%	0.25	C	S	.	.			trans	-74.2	160.8	166	72.3	0	0	0	0	111.2	K245 E256 D257 C258	K245-S254 VanDerWaalsContact CE-CA 3.42Å; S254-E256 WeakPolarHBondContact CB-OE2 3.21Å; S254-E256 PolarHBondContact O-N 2.83Å; S254-E256 PolarHBondContact OG-OE2 3.21Å; S254-D257 WeakPolarHBondContact CA-OD2 3.48Å; S254-D257 VanDerWaalsContact CB-OD2 3.26Å; S254-D257 WeakPolarHBondContact CB-OD2 3.28Å; S254-D257 PolarHBondContact N-OD2 3.47Å; S254-D257 WeakPolarHBondContact O-CB 3.43Å; S254-D257 PolarHBondContact O-N 3.04Å; S254-D257 PolarHBondContact OG-N 3.39Å; S254-D257 VanDerWaalsContact OG-N 3.12Å; S254-D257 PolarHBondContact OG-OD2 3.14Å; S254-C258 PolarHBondContact O-N 3.14Å; S254-C258 VanDerWaalsContact O-N 3.17Å; S254-C258 PolarHBondContact O-SG 2.92Å
255	L	90.7	Very high	87.6	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-32.8	175.3	-176.6	51.5	0	0	0	110.5	V127 Y131 F162 L228 F241 C258 Y259	V127-L255 HydrophobicContact CG1-CD1 4.04Å; V127-L255 HydrophobicContact CG2-CD1 4.15Å; Y131-L255 HydrophobicContact CD1-CB 4.15Å; Y131-L255 HydrophobicContact CD1-CD1 4.46Å; Y131-L255 HydrophobicContact CD1-CD2 3.94Å; Y131-L255 HydrophobicContact CD1-CG 4.42Å; Y131-L255 HydrophobicContact CD2-CD1 4.17Å; Y131-L255 HydrophobicContact CE1-CB 3.86Å; Y131-L255 HydrophobicContact CE1-CD2 4.44Å; Y131-L255 HydrophobicContact CE2-CB 4.45Å; Y131-L255 HydrophobicContact CG-CD1 4.11Å; Y131-L255 HydrophobicContact CG-CD2 4.24Å; Y131-L255 PolarHBondContact OH-N 3.46Å; F162-L255 HydrophobicContact CE1-CD1 3.91Å; F162-L255 HydrophobicContact CE1-CD2 3.59Å; F162-L255 HydrophobicContact CE1-CG 4.38Å; F162-L255 HydrophobicContact CZ-CD2 3.68Å; L228-L255 HydrophobicContact CD1-CG 4.22Å; L228-L255 HydrophobicContact CD2-CD2 3.7Å; L228-L255 HydrophobicContact CD2-CG 4.27Å; F241-L255 HydrophobicContact CE1-CD2 4.1Å; F241-L255 HydrophobicContact CZ-CD2 4.21Å; L255-C258 HydrophobicContact CD1-CB 4.48Å; L255-C258 WeakPolarHBondContact O-CB 3.44Å; L255-C258 PolarHBondContact O-N 2.87Å; L255-Y259 HydrophobicContact CD1-CD2 4.02Å; L255-Y259 HydrophobicContact CD1-CE2 3.52Å; L255-Y259 HydrophobicContact CD2-CE2 4.33Å; L255-Y259 HydrophobicContact CG-CD2 4.03Å; L255-Y259 HydrophobicContact CG-CE2 3.67Å; L255-Y259 WeakPolarHBondContact O-CD2 2.98Å; L255-Y259 PolarHBondContact O-N 3.21Å
256	E	89.9	Confident	88	Confident	42 Å²	42	48 Å²	48	20%	0.196	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-43.3	171	-63	85.1	164.8	0	0	112.8	L228 K232 S254 C258 Y259 M260	L228-E256 HydrophobicContact CD1-CG 3.92Å; K232-E256 WeakPolarHBondContact CE-OE1 3.35Å; K232-E256 IonicContact NZ-OE1 2.73Å; K232-E256 PolarHBondContact NZ-OE1 3.45Å; S254-E256 WeakPolarHBondContact CB-OE2 3.21Å; S254-E256 PolarHBondContact O-N 2.83Å; S254-E256 PolarHBondContact OG-OE2 3.21Å; E256-C258 VanDerWaalsContact C-N 3.29Å; E256-C258 PolarHBondContact O-N 3.4Å; E256-Y259 PolarHBondContact O-N 3.22Å; E256-M260 WeakPolarHBondContact O-CG 3.45Å; E256-M260 PolarHBondContact O-N 2.76Å
257	D	89.6	Confident	88.4	Confident	85 Å²	85	44.3 Å²	44.3	46%	0.455	22%	0.219	S	C	.	.	H	α-helix	trans	-61.9	-40.5	176.1	-57.1	-51.5	0	0	0	110.8	K253 S254 M260 V261	K253-D257 HydrophobicContact CB-CB 4.42Å; S254-D257 WeakPolarHBondContact CA-OD2 3.48Å; S254-D257 VanDerWaalsContact CB-OD2 3.26Å; S254-D257 WeakPolarHBondContact CB-OD2 3.28Å; S254-D257 PolarHBondContact N-OD2 3.47Å; S254-D257 WeakPolarHBondContact O-CB 3.43Å; S254-D257 PolarHBondContact O-N 3.04Å; S254-D257 PolarHBondContact OG-N 3.39Å; S254-D257 VanDerWaalsContact OG-N 3.12Å; S254-D257 PolarHBondContact OG-OD2 3.14Å; D257-M260 PolarHBondContact O-N 2.96Å; D257-V261 WeakPolarHBondContact O-CG2 3.26Å; D257-V261 PolarHBondContact O-N 2.89Å
258	C	92	Very high	88.7	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-60.1	-48.5	174.8	-68	0	0	0	0	111.8	M123 V127 S254 L255 E256 M260 V261 I262	M123-C258 HydrophobicContact CG-CB 4.49Å; M123-C258 HydrophobicContact SD-CB 3.55Å; M123-C258 VanDerWaalsContact SD-CB 3.55Å; M123-C258 VanDerWaalsContact SD-SG 3.66Å; V127-C258 HydrophobicContact CG2-CB 3.68Å; S254-C258 PolarHBondContact O-N 3.14Å; S254-C258 VanDerWaalsContact O-N 3.17Å; S254-C258 PolarHBondContact O-SG 2.92Å; L255-C258 HydrophobicContact CD1-CB 4.48Å; L255-C258 WeakPolarHBondContact O-CB 3.44Å; L255-C258 PolarHBondContact O-N 2.87Å; E256-C258 VanDerWaalsContact C-N 3.29Å; E256-C258 PolarHBondContact O-N 3.4Å; C258-M260 VanDerWaalsContact C-N 3.31Å; C258-M260 PolarHBondContact O-N 2.9Å; C258-V261 PolarHBondContact O-N 2.92Å; C258-V261 VanDerWaalsContact O-N 3.15Å; C258-I262 WeakPolarHBondContact O-CG1 3.23Å; C258-I262 PolarHBondContact O-N 3.09Å
259	Y	91.6	Very high	89.3	Confident	9 Å²	9	39.2 Å²	39.2	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-34.2	176.2	-80.7	-71.3	0	0	0	113.5	L161 F162 F217 I224 L228 L255 E256 V261 I262 V263	L161-Y259 PolarHBondContact O-OH 2.83Å; F162-Y259 VanDerWaalsContact CD1-OH 3.31Å; F162-Y259 WeakPolarHBondContact CD1-OH 3.19Å; F217-Y259 HydrophobicContact CD1-CD1 4.4Å; F217-Y259 HydrophobicContact CD1-CE1 4.14Å; F217-Y259 HydrophobicContact CE1-CD1 4.5Å; F217-Y259 AromaticContact CE1-CE1 3.9Å; F217-Y259 HydrophobicContact CE1-CE1 3.9Å; I224-Y259 HydrophobicContact CD1-CD1 4.19Å; I224-Y259 HydrophobicContact CD1-CE1 3.71Å; I224-Y259 HydrophobicContact CG2-CD1 4.31Å; I224-Y259 HydrophobicContact CG2-CD2 3.79Å; I224-Y259 HydrophobicContact CG2-CE1 4.25Å; I224-Y259 HydrophobicContact CG2-CE2 3.77Å; I224-Y259 HydrophobicContact CG2-CG 4.12Å; L228-Y259 HydrophobicContact CD1-CD2 4.14Å; L228-Y259 HydrophobicContact CD1-CE2 4.4Å; L255-Y259 HydrophobicContact CD1-CD2 4.02Å; L255-Y259 HydrophobicContact CD1-CE2 3.52Å; L255-Y259 HydrophobicContact CD2-CE2 4.33Å; L255-Y259 HydrophobicContact CG-CD2 4.03Å; L255-Y259 HydrophobicContact CG-CE2 3.67Å; L255-Y259 WeakPolarHBondContact O-CD2 2.98Å; L255-Y259 PolarHBondContact O-N 3.21Å; E256-Y259 PolarHBondContact O-N 3.22Å; Y259-V261 VanDerWaalsContact C-N 3.35Å; Y259-I262 HydrophobicContact CD1-CD1 4.25Å; Y259-I262 HydrophobicContact CE1-CD1 4.44Å; Y259-I262 PolarHBondContact O-N 3.2Å; Y259-V263 PolarHBondContact O-N 3.17Å
260	M	90	Very high	89.9	Confident	77 Å²	77	36.9 Å²	36.9	38%	0.379	18%	0.18	S	C	.	.	H	α-helix	trans	-66.8	-35.9	173.9	-72.7	-57.7	-55.3	0	0	112.4	E256 D257 C258 Q264	E256-M260 WeakPolarHBondContact O-CG 3.45Å; E256-M260 PolarHBondContact O-N 2.76Å; D257-M260 PolarHBondContact O-N 2.96Å; C258-M260 VanDerWaalsContact C-N 3.31Å; C258-M260 PolarHBondContact O-N 2.9Å; M260-Q264 VanDerWaalsContact O-CG 3.31Å; M260-Q264 WeakPolarHBondContact O-CG 3.34Å; M260-Q264 PolarHBondContact O-N 3.37Å
261	V	92.1	Very high	90.6	Very high	9 Å²	9	38.8 Å²	38.8	6%	0.055	19%	0.191	C	C	.	.	H	α-helix	trans	-69.5	-40.1	174.8	170.8	0	0	0	0	111.6	Y120 M123 D257 C258 Y259 Q264 R265 M688 I691 F692	Y120-V261 HydrophobicContact CD2-CG1 3.87Å; Y120-V261 HydrophobicContact CE2-CG1 4.05Å; M123-V261 HydrophobicContact CE-CB 4.45Å; M123-V261 HydrophobicContact CE-CG1 4.03Å; D257-V261 WeakPolarHBondContact O-CG2 3.26Å; D257-V261 PolarHBondContact O-N 2.89Å; C258-V261 PolarHBondContact O-N 2.92Å; C258-V261 VanDerWaalsContact O-N 3.15Å; Y259-V261 VanDerWaalsContact C-N 3.35Å; V261-Q264 PolarHBondContact O-N 3.25Å; V261-R265 PolarHBondContact O-N 2.97Å; V261-M688 HydrophobicContact CG1-CE 4.08Å; V261-M688 HydrophobicContact CG1-SD 4.12Å; V261-M688 HydrophobicContact CG2-SD 4.37Å; V261-I691 HydrophobicContact CG2-CD1 4.27Å; V261-I691 HydrophobicContact CG2-CG2 4.37Å; V261-F692 HydrophobicContact CG1-CZ 3.95Å
262	I	92.9	Very high	91.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55.7	-59	175.3	-67.4	170.9	0	0	0	110.3	Y120 M123 L124 I165 L168 Y214 F217 C258 Y259 Q264 R265	Y120-I262 HydrophobicContact CE2-CG1 4.14Å; Y120-I262 WeakPolarHBondContact OH-CA 3.28Å; M123-I262 HydrophobicContact CE-CG1 3.97Å; L124-I262 HydrophobicContact CD2-CD1 3.85Å; L124-I262 HydrophobicContact CD2-CG1 3.89Å; I165-I262 HydrophobicContact CD1-CD1 4.29Å; L168-I262 HydrophobicContact CD2-CD1 4.08Å; L168-I262 HydrophobicContact CD2-CG1 4.24Å; L168-I262 HydrophobicContact CD2-CG2 3.85Å; Y214-I262 HydrophobicContact CE1-CG2 4.37Å; Y214-I262 WeakPolarHBondContact CE1-O 3.4Å; F217-I262 HydrophobicContact CB-CG2 4.5Å; F217-I262 HydrophobicContact CD1-CG2 3.98Å; F217-I262 HydrophobicContact CE1-CD1 4.09Å; F217-I262 HydrophobicContact CE1-CG2 4.38Å; F217-I262 HydrophobicContact CG-CG2 4.14Å; C258-I262 WeakPolarHBondContact O-CG1 3.23Å; C258-I262 PolarHBondContact O-N 3.09Å; Y259-I262 HydrophobicContact CD1-CD1 4.25Å; Y259-I262 HydrophobicContact CE1-CD1 4.44Å; Y259-I262 PolarHBondContact O-N 3.2Å; I262-Q264 PolarHBondContact O-N 2.96Å; I262-R265 PolarHBondContact O-N 3.18Å
263	V	90.2	Very high	92.5	Very high	36 Å²	36	26.7 Å²	26.7	22%	0.218	14%	0.139	C	C	.	.	H	α-helix	trans	-60.3	-21.4	-176.5	167.1	0	0	0	0	113.1	L218 Q221 Y259	L218-V263 HydrophobicContact CD2-CG1 3.71Å; L218-V263 HydrophobicContact CD2-CG2 4.27Å; Q221-V263 HydrophobicContact CG-CG2 4.09Å; Y259-V263 PolarHBondContact O-N 3.17Å
264	Q	91.9	Very high	93.2	Very high	59 Å²	59	28.7 Å²	28.7	28%	0.276	15%	0.149	S	C	.	.	H	α-helix	trans	-93	-11.6	178.6	-69	-177.9	15.6	0	0	115.2	M260 V261 I262 W266 T267 K268	M260-Q264 VanDerWaalsContact O-CG 3.31Å; M260-Q264 WeakPolarHBondContact O-CG 3.34Å; M260-Q264 PolarHBondContact O-N 3.37Å; V261-Q264 PolarHBondContact O-N 3.25Å; I262-Q264 PolarHBondContact O-N 2.96Å; Q264-W266 PolarHBondContact O-N 3.44Å; Q264-T267 PolarHBondContact O-N 2.87Å; Q264-T267 PolarHBondContact O-OG1 3.39Å; Q264-K268 PolarHBondContact O-N 3.41Å
265	R	95.4	Very high	93.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-53.8	-54.3	-166.3	-175.6	67.1	-169.5	146.2	8.3	113.6	S116 E117 Y120 Y214 V261 I262 T267 K268 V269	S116-R265 PolarHBondContact O-NH1 3.12Å; S116-R265 PolarHBondContact OG-NH1 3.49Å; S116-R265 PolarHBondContact OG-NH2 3.31Å; E117-R265 IonicContact OE2-CZ 3.05Å; E117-R265 IonicContact OE2-NE 2.76Å; E117-R265 PolarHBondContact OE2-NE 3.46Å; E117-R265 IonicContact OE2-NH2 2.97Å; E117-R265 PolarHBondContact OE2-NH2 2.9Å; Y120-R265 HydrophobicContact CD1-CG 3.97Å; Y120-R265 HydrophobicContact CE1-CB 4.21Å; Y120-R265 HydrophobicContact CE1-CG 3.72Å; Y120-R265 HydrophobicContact CE2-CB 4.15Å; Y120-R265 HydrophobicContact CE2-CG 4.31Å; Y120-R265 HydrophobicContact CG-CG 4.35Å; Y214-R265 HydrophobicContact CE1-CB 4.37Å; V261-R265 PolarHBondContact O-N 2.97Å; I262-R265 PolarHBondContact O-N 3.18Å; R265-T267 VanDerWaalsContact C-N 3.33Å; R265-T267 PolarHBondContact O-N 2.96Å; R265-K268 WeakPolarHBondContact O-CA 3.4Å; R265-K268 WeakPolarHBondContact O-CB 3.38Å; R265-K268 PolarHBondContact O-N 3.08Å; R265-V269 HydrophobicContact CG-CG2 4.48Å; R265-V269 PolarHBondContact O-N 3.03Å; R265-V269 VanDerWaalsContact O-N 3.08Å
266	W	95.8	Very high	93.9	Very high	10 Å²	10	28.6 Å²	28.6	4%	0.038	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-34.5	-177.1	-68.2	116	0	0	0	113.6	H172 I175 F202 L210 Y214 Q264 K268 V269 E270 V297 I300 I301	H172-W266 AromaticContact CE1-CZ2 3.65Å; H172-W266 AromaticContact NE2-CZ2 3.92Å; I175-W266 HydrophobicContact CD1-CH2 3.83Å; I175-W266 HydrophobicContact CD1-CZ2 4.19Å; F202-W266 AromaticContact CE1-CH2 3.76Å; F202-W266 HydrophobicContact CE1-CH2 3.76Å; F202-W266 HydrophobicContact CE1-CZ3 4.03Å; F202-W266 HydrophobicContact CZ-CH2 4Å; F202-W266 AromaticContact CZ-CZ3 3.84Å; F202-W266 HydrophobicContact CZ-CZ3 3.84Å; L210-W266 HydrophobicContact CD1-CH2 4.14Å; L210-W266 HydrophobicContact CD1-CZ2 3.78Å; L210-W266 HydrophobicContact CD2-CZ2 3.97Å; L210-W266 HydrophobicContact CG-CZ2 4.36Å; Y214-W266 AromaticContact CD1-CD1 3.63Å; Y214-W266 AromaticContact CD1-NE1 3.93Å; Y214-W266 AromaticContact CD2-CD1 3.91Å; Y214-W266 AromaticContact CD2-NE1 3.39Å; Y214-W266 AromaticContact CE1-CD1 3.53Å; Y214-W266 AromaticContact CE1-NE1 3.65Å; Y214-W266 AromaticContact CE2-CD1 3.82Å; Y214-W266 AromaticContact CE2-NE1 3.07Å; Y214-W266 AromaticContact CG-CD1 3.81Å; Y214-W266 AromaticContact CG-NE1 3.8Å; Y214-W266 AromaticContact CZ-CD1 3.63Å; Y214-W266 AromaticContact CZ-NE1 3.22Å; Q264-W266 PolarHBondContact O-N 3.44Å; W266-K268 PolarHBondContact O-N 2.8Å; W266-K268 VanDerWaalsContact O-N 3.13Å; W266-V269 HydrophobicContact CE3-CB 3.97Å; W266-V269 HydrophobicContact CE3-CG1 4.21Å; W266-V269 HydrophobicContact CE3-CG2 4.05Å; W266-V269 HydrophobicContact CZ3-CB 4.28Å; W266-V269 HydrophobicContact CZ3-CG1 4.09Å; W266-V269 HydrophobicContact CZ3-CG2 4.19Å; W266-V269 PolarHBondContact O-N 2.88Å; W266-E270 PolarHBondContact O-N 3.03Å; W266-V297 HydrophobicContact CB-CG1 4.43Å; W266-V297 HydrophobicContact CE3-CB 4.42Å; W266-V297 HydrophobicContact CE3-CG1 3.87Å; W266-V297 HydrophobicContact CE3-CG2 3.89Å; W266-V297 HydrophobicContact CZ3-CG2 3.86Å; W266-I300 HydrophobicContact CD2-CD1 3.96Å; W266-I300 HydrophobicContact CD2-CG2 4.34Å; W266-I300 HydrophobicContact CE3-CD1 4.03Å; W266-I300 HydrophobicContact CG-CG2 4.12Å; W266-I300 HydrophobicContact CH2-CD1 3.91Å; W266-I300 HydrophobicContact CZ2-CD1 3.84Å; W266-I300 HydrophobicContact CZ3-CD1 4Å; W266-I301 HydrophobicContact CB-CD1 4.14Å; W266-I301 HydrophobicContact CB-CG1 3.69Å
267	T	94.5	Very high	94.3	Very high	56 Å²	56	27.6 Å²	27.6	34%	0.344	15%	0.145	S	C	.	.	H	α-helix	trans	-65	-14.1	172.7	79.8	0	0	0	0	113.5	Q264 R265 T271 I301	Q264-T267 PolarHBondContact O-N 2.87Å; Q264-T267 PolarHBondContact O-OG1 3.39Å; R265-T267 VanDerWaalsContact C-N 3.33Å; R265-T267 PolarHBondContact O-N 2.96Å; T267-T271 PolarHBondContact O-OG1 2.83Å; T267-I301 HydrophobicContact CG2-CD1 4.48Å
268	K	94	Very high	94.6	Very high	24 Å²	24	30.5 Å²	30.5	10%	0.104	15%	0.149	C	C	.	.	H	α-helix	trans	-94	-42.6	174	-66.3	-70.3	134	-63.5	0	110.9	Q264 R265 W266 E270 T271 L272 M688	Q264-K268 PolarHBondContact O-N 3.41Å; R265-K268 WeakPolarHBondContact O-CA 3.4Å; R265-K268 WeakPolarHBondContact O-CB 3.38Å; R265-K268 PolarHBondContact O-N 3.08Å; W266-K268 PolarHBondContact O-N 2.8Å; W266-K268 VanDerWaalsContact O-N 3.13Å; K268-E270 VanDerWaalsContact C-N 3.32Å; K268-E270 PolarHBondContact O-N 2.78Å; K268-T271 WeakPolarHBondContact CA-OG1 3.4Å; K268-T271 PolarHBondContact O-N 3.44Å; K268-T271 PolarHBondContact O-OG1 3.48Å; K268-L272 WeakPolarHBondContact O-CG 3.12Å; K268-L272 PolarHBondContact O-N 3.3Å; K268-M688 HydrophobicContact CD-CG 4.17Å; K268-M688 HydrophobicContact CG-CE 4.19Å; K268-M688 HydrophobicContact CG-CG 4.19Å
269	V	96.8	Very high	94.8	Very high	9 Å²	9	31.1 Å²	31.1	6%	0.055	15%	0.152	C	C	.	.	H	α-helix	trans	-57.6	-44.4	173.9	-179.1	0	0	0	0	110.8	L113 R265 W266 T271 L272 L273 V297	L113-V269 HydrophobicContact CD1-CG1 4.27Å; L113-V269 HydrophobicContact CD1-CG2 4.47Å; R265-V269 HydrophobicContact CG-CG2 4.48Å; R265-V269 PolarHBondContact O-N 3.03Å; R265-V269 VanDerWaalsContact O-N 3.08Å; W266-V269 HydrophobicContact CE3-CB 3.97Å; W266-V269 HydrophobicContact CE3-CG1 4.21Å; W266-V269 HydrophobicContact CE3-CG2 4.05Å; W266-V269 HydrophobicContact CZ3-CB 4.28Å; W266-V269 HydrophobicContact CZ3-CG1 4.09Å; W266-V269 HydrophobicContact CZ3-CG2 4.19Å; W266-V269 PolarHBondContact O-N 2.88Å; V269-T271 PolarHBondContact O-N 3.19Å; V269-L272 PolarHBondContact O-N 2.87Å; V269-L272 VanDerWaalsContact O-N 3.14Å; V269-L273 HydrophobicContact CG1-CD1 4.08Å; V269-L273 HydrophobicContact CG1-CG 4.28Å; V269-L273 WeakPolarHBondContact O-CG 3.5Å; V269-L273 PolarHBondContact O-N 2.96Å; V269-V297 HydrophobicContact CB-CG1 4.47Å; V269-V297 HydrophobicContact CG1-CG1 4.5Å; V269-V297 HydrophobicContact CG1-CG2 4.01Å
270	E	96.5	Very high	95	Very high	38 Å²	38	31.2 Å²	31.2	18%	0.178	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-43.3	178.5	-155.9	-115	130.1	0	0	112.7	W266 K268 L272 L273 E274 R294 V297 K298	W266-E270 PolarHBondContact O-N 3.03Å; K268-E270 VanDerWaalsContact C-N 3.32Å; K268-E270 PolarHBondContact O-N 2.78Å; E270-L272 VanDerWaalsContact C-N 3.31Å; E270-L272 PolarHBondContact O-N 2.79Å; E270-L273 PolarHBondContact O-N 2.72Å; E270-E274 PolarHBondContact O-N 2.74Å; E270-R294 HydrophobicContact CG-CG 4.11Å; E270-R294 IonicContact OE1-CZ 3.13Å; E270-R294 VanDerWaalsContact OE1-CZ 3.31Å; E270-R294 IonicContact OE1-NE 3.22Å; E270-R294 PolarHBondContact OE1-NE 2.84Å; E270-R294 IonicContact OE1-NH2 2.58Å; E270-R294 PolarHBondContact OE1-NH2 3.36Å; E270-V297 HydrophobicContact CB-CG1 3.84Å; E270-V297 HydrophobicContact CG-CG1 4.26Å; E270-K298 HydrophobicContact CG-CG 3.89Å; E270-K298 WeakPolarHBondContact OE1-CE 3.35Å; E270-K298 IonicContact OE1-NZ 3.24Å
271	T	94.9	Very high	95	Very high	43 Å²	43	32.3 Å²	32.3	26%	0.264	16%	0.161	S	C	.	.	H	α-helix	trans	-70.2	-25.5	177.8	53.1	0	0	0	0	113.7	T267 K268 V269 S275	T267-T271 PolarHBondContact O-OG1 2.83Å; K268-T271 WeakPolarHBondContact CA-OG1 3.4Å; K268-T271 PolarHBondContact O-N 3.44Å; K268-T271 PolarHBondContact O-OG1 3.48Å; V269-T271 PolarHBondContact O-N 3.19Å; T271-S275 PolarHBondContact O-N 2.64Å
272	L	96.2	Very high	94.8	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.063	20%	0.2	C	C	.	.	H	α-helix	trans	-76.2	-46	172.7	-72.3	169.3	0	0	0	110.5	E112 L113 K268 V269 E270 E274 S275 I276	E112-L272 HydrophobicContact CB-CD2 4.33Å; E112-L272 HydrophobicContact CG-CD2 4Å; L113-L272 HydrophobicContact CB-CD1 4.25Å; L113-L272 HydrophobicContact CD1-CB 4.48Å; L113-L272 HydrophobicContact CD1-CD1 3.95Å; K268-L272 WeakPolarHBondContact O-CG 3.12Å; K268-L272 PolarHBondContact O-N 3.3Å; V269-L272 PolarHBondContact O-N 2.87Å; V269-L272 VanDerWaalsContact O-N 3.14Å; E270-L272 VanDerWaalsContact C-N 3.31Å; E270-L272 PolarHBondContact O-N 2.79Å; L272-E274 PolarHBondContact O-N 3.07Å; L272-S275 CarbonylContact O-C 3.59Å; L272-S275 WeakPolarHBondContact O-CA 3.43Å; L272-S275 WeakPolarHBondContact O-CB 3.49Å; L272-S275 PolarHBondContact O-N 2.71Å; L272-I276 WeakPolarHBondContact O-CG1 3.15Å; L272-I276 PolarHBondContact O-N 2.91Å
273	L	97.5	Very high	94.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-47.1	176.1	-68.9	176.4	0	0	0	111.8	L198 V269 E270 S275 I276 I277 L290 R294 V297	L198-L273 HydrophobicContact CD1-CD2 3.61Å; V269-L273 HydrophobicContact CG1-CD1 4.08Å; V269-L273 HydrophobicContact CG1-CG 4.28Å; V269-L273 WeakPolarHBondContact O-CG 3.5Å; V269-L273 PolarHBondContact O-N 2.96Å; E270-L273 PolarHBondContact O-N 2.72Å; L273-S275 PolarHBondContact O-N 2.73Å; L273-S275 VanDerWaalsContact O-N 3.16Å; L273-I276 PolarHBondContact O-N 3.41Å; L273-I276 VanDerWaalsContact O-N 3.08Å; L273-I277 HydrophobicContact CB-CD1 4.47Å; L273-I277 WeakPolarHBondContact O-CB 3.24Å; L273-I277 VanDerWaalsContact O-CD1 3.31Å; L273-I277 WeakPolarHBondContact O-CD1 3.38Å; L273-I277 VanDerWaalsContact O-CG1 3.22Å; L273-I277 WeakPolarHBondContact O-CG1 3.35Å; L273-I277 PolarHBondContact O-N 3.27Å; L273-L290 HydrophobicContact CD2-CD2 4.26Å; L273-R294 HydrophobicContact CB-CB 4.41Å; L273-R294 HydrophobicContact CB-CG 4.4Å; L273-R294 HydrophobicContact CD1-CB 4.38Å; L273-V297 HydrophobicContact CD1-CB 4.46Å; L273-V297 HydrophobicContact CD1-CG2 3.89Å
274	E	97	Very high	94.9	Very high	76 Å²	76	47.4 Å²	47.4	36%	0.355	24%	0.24	S	C	.	.	H	α-helix	trans	-55.3	-34.2	173.8	-177.3	-179.7	-109.7	0	0	112.6	E270 L272 R278 R294	E270-E274 PolarHBondContact O-N 2.74Å; L272-E274 PolarHBondContact O-N 3.07Å; E274-R278 VanDerWaalsContact O-CB 3.29Å; E274-R278 WeakPolarHBondContact O-CB 3.43Å; E274-R278 PolarHBondContact O-N 3.49Å; E274-R278 IonicContact OE2-NH1 2.65Å; E274-R294 IonicContact OE1-CZ 2.84Å; E274-R294 IonicContact OE1-NH1 3.61Å; E274-R294 IonicContact OE1-NH2 3.72Å; E274-R294 PolarHBondContact OE1-NH2 3Å
275	S	96.5	Very high	95.1	Very high	14 Å²	14	49.2 Å²	49.2	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-78.1	-33.2	178.5	-158.9	0	0	0	0	113.1	N109 T271 L272 L273 R278 N279	N109-S275 VanDerWaalsContact CG-OG 3.25Å; N109-S275 PolarHBondContact ND2-OG 2.88Å; N109-S275 WeakPolarHBondContact OD1-CB 3.46Å; N109-S275 PolarHBondContact OD1-OG 2.89Å; T271-S275 PolarHBondContact O-N 2.64Å; L272-S275 CarbonylContact O-C 3.59Å; L272-S275 WeakPolarHBondContact O-CA 3.43Å; L272-S275 WeakPolarHBondContact O-CB 3.49Å; L272-S275 PolarHBondContact O-N 2.71Å; L273-S275 PolarHBondContact O-N 2.73Å; L273-S275 VanDerWaalsContact O-N 3.16Å; S275-R278 PolarHBondContact OG-NH2 3.32Å; S275-N279 PolarHBondContact O-N 3.17Å; S275-N279 PolarHBondContact O-ND2 3.31Å
276	I	97.6	Very high	95.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.1	-46.3	174	-63.2	163.2	0	0	0	109.7	R106 N109 I110 L113 L194 L272 L273 R278 N279 T280 L290	R106-I276 HydrophobicContact CG-CG2 4.2Å; N109-I276 HydrophobicContact CB-CG1 3.68Å; I110-I276 HydrophobicContact CD1-CG2 4.25Å; I110-I276 HydrophobicContact CG1-CD1 3.85Å; I110-I276 HydrophobicContact CG1-CG1 4.01Å; I110-I276 HydrophobicContact CG1-CG2 4.09Å; L113-I276 HydrophobicContact CD2-CD1 4.11Å; L194-I276 HydrophobicContact CD2-CD1 3.98Å; L272-I276 WeakPolarHBondContact O-CG1 3.15Å; L272-I276 PolarHBondContact O-N 2.91Å; L273-I276 PolarHBondContact O-N 3.41Å; L273-I276 VanDerWaalsContact O-N 3.08Å; I276-R278 PolarHBondContact O-N 2.82Å; I276-N279 CarbonylContact O-C 3.33Å; I276-N279 PolarHBondContact O-N 2.9Å; I276-N279 VanDerWaalsContact O-N 3.11Å; I276-T280 PolarHBondContact O-N 3.43Å; I276-T280 PolarHBondContact O-OG1 2.92Å; I276-L290 HydrophobicContact CG2-CD1 3.82Å; I276-L290 HydrophobicContact CG2-CD2 4.36Å
277	I	97.2	Very high	95.2	Very high	22 Å²	22	50.8 Å²	50.8	11%	0.113	26%	0.259	C	S	.	.	H	α-helix	trans	-55.3	-53.9	176.6	-68.6	157.3	0	0	0	110.4	L273 N279 T280 V287 L290 E291 R294	L273-I277 HydrophobicContact CB-CD1 4.47Å; L273-I277 WeakPolarHBondContact O-CB 3.24Å; L273-I277 VanDerWaalsContact O-CD1 3.31Å; L273-I277 WeakPolarHBondContact O-CD1 3.38Å; L273-I277 VanDerWaalsContact O-CG1 3.22Å; L273-I277 WeakPolarHBondContact O-CG1 3.35Å; L273-I277 PolarHBondContact O-N 3.27Å; I277-N279 PolarHBondContact O-N 2.82Å; I277-T280 PolarHBondContact O-N 2.86Å; I277-V287 HydrophobicContact CG2-CG1 4.47Å; I277-L290 HydrophobicContact CD1-CB 4.02Å; I277-L290 HydrophobicContact CG1-CB 3.47Å; I277-L290 VanDerWaalsContact CG1-CB 3.47Å; I277-L290 HydrophobicContact CG1-CD1 4.08Å; I277-L290 HydrophobicContact CG1-CG 4.38Å; I277-E291 HydrophobicContact CD1-CG 3.93Å; I277-E291 HydrophobicContact CG2-CG 4.29Å; I277-R294 HydrophobicContact CD1-CB 4.11Å; I277-R294 HydrophobicContact CD1-CG 4.49Å
278	R	96.3	Very high	95.3	Very high	145 Å²	145	50.6 Å²	50.6	55%	0.547	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.5	179.3	-179	176.1	59	-118.4	-5.9	114.8	E274 S275 I276	E274-R278 VanDerWaalsContact O-CB 3.29Å; E274-R278 WeakPolarHBondContact O-CB 3.43Å; E274-R278 PolarHBondContact O-N 3.49Å; E274-R278 IonicContact OE2-NH1 2.65Å; S275-R278 PolarHBondContact OG-NH2 3.32Å; I276-R278 PolarHBondContact O-N 2.82Å
279	N	96	Very high	95.5	Very high	14 Å²	14	51 Å²	51	8%	0.075	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	2.6	178	-69.9	-79.4	0	0	0	113.1	T102 N105 R106 S275 I276 I277	T102-N279 WeakPolarHBondContact O-CB 3.48Å; N105-N279 HydrophobicContact CB-CB 4.1Å; N105-N279 WeakPolarHBondContact CB-OD1 3.24Å; N105-N279 PolarHBondContact ND2-OD1 2.92Å; R106-N279 HydrophobicContact CB-CB 3.94Å; S275-N279 PolarHBondContact O-N 3.17Å; S275-N279 PolarHBondContact O-ND2 3.31Å; I276-N279 CarbonylContact O-C 3.33Å; I276-N279 PolarHBondContact O-N 2.9Å; I276-N279 VanDerWaalsContact O-N 3.11Å; I277-N279 PolarHBondContact O-N 2.82Å
280	T	95.2	Very high	95.5	Very high	11 Å²	11	50.5 Å²	50.5	7%	0.067	26%	0.263	C	S	.	.			trans	-88.3	127.6	168.3	-54.9	0	0	0	0	107.4	R106 I276 I277 D283 E286 V287	R106-T280 WeakPolarHBondContact CD-OG1 3.15Å; R106-T280 PolarHBondContact NE-OG1 2.89Å; I276-T280 PolarHBondContact O-N 3.43Å; I276-T280 PolarHBondContact O-OG1 2.92Å; I277-T280 PolarHBondContact O-N 2.86Å; T280-D283 HydrophobicContact CG2-CB 4.27Å; T280-E286 HydrophobicContact CG2-CB 4.22Å; T280-E286 HydrophobicContact CG2-CG 3.75Å; T280-V287 HydrophobicContact CG2-CG2 3.78Å
281	L	90.2	Very high	95.5	Very high	100 Å²	100	51 Å²	51	52%	0.524	27%	0.266	S	S	.	.			trans	-138.8	143.5	-172.4	-60.2	175.4	0	0	0	108.8	T102 D283	T102-L281 HydrophobicContact CG2-CD1 4.01Å; T102-L281 WeakPolarHBondContact OG1-CD1 3.25Å; L281-D283 PolarHBondContact O-N 3.26Å
282	N	87.9	Confident	95.7	Very high	166 Å²	166	52.8 Å²	52.8	89%	0.888	27%	0.273	S	S	*	.	S	Bend	trans	60.3	28.8	177.4	-45.3	-9.3	0	0	0	113.5
283	D	92.6	Very high	95.7	Very high	61 Å²	61	52.2 Å²	52.2	33%	0.326	27%	0.27	S	S	.	.			trans	-146.9	77.8	178.7	-171.6	-17.6	0	0	0	108	T280 L281 E285 E286 V287	T280-D283 HydrophobicContact CG2-CB 4.27Å; L281-D283 PolarHBondContact O-N 3.26Å; D283-E285 PolarHBondContact O-N 2.94Å; D283-E286 HydrophobicContact CB-CB 4.18Å; D283-E286 PolarHBondContact O-N 3.11Å; D283-E286 VanDerWaalsContact OD1-CB 3.24Å; D283-E286 WeakPolarHBondContact OD1-CB 3.49Å; D283-E286 PolarHBondContact OD1-N 3.35Å; D283-E286 WeakPolarHBondContact OD2-CB 3.41Å; D283-V287 WeakPolarHBondContact O-CG2 3.46Å; D283-V287 PolarHBondContact O-N 2.85Å
284	D	93.7	Very high	95.7	Very high	135 Å²	135	53.5 Å²	53.5	72%	0.722	28%	0.275	S	S	*	.	H	α-helix	trans	-70.4	-24.5	-173.7	-62.8	-37.5	0	0	0	112	A288	D284-A288 VanDerWaalsContact O-CB 3.28Å; D284-A288 WeakPolarHBondContact O-CB 3.2Å; D284-A288 PolarHBondContact O-N 2.92Å
285	E	95.1	Very high	95.7	Very high	98 Å²	98	56.3 Å²	56.3	46%	0.458	29%	0.285	S	S	.	.	H	α-helix	trans	-68.6	-48.8	174.5	-164.5	-154.6	135.9	0	0	111	K53 D283 A288 N289	K53-E285 IonicContact NZ-OE1 2.85Å; K53-E285 PolarHBondContact NZ-OE1 3.44Å; K53-E285 IonicContact NZ-OE2 3.96Å; K53-E285 PolarHBondContact NZ-OE2 3.44Å; D283-E285 PolarHBondContact O-N 2.94Å; E285-A288 PolarHBondContact O-N 3.12Å; E285-N289 WeakPolarHBondContact O-CB 3.01Å; E285-N289 PolarHBondContact O-N 3.28Å; E285-N289 PolarHBondContact O-ND2 2.84Å
286	E	96.2	Very high	95.8	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-40.7	173.1	173.5	66.7	173.9	0	0	111.4	R106 S193 L194 G195 T280 D283 N289 L290	R106-E286 IonicContact NH2-OE1 3.61Å; R106-E286 PolarHBondContact NH2-OE1 3.37Å; S193-E286 VanDerWaalsContact CA-OE2 3.26Å; S193-E286 WeakPolarHBondContact CA-OE2 3.45Å; S193-E286 WeakPolarHBondContact CB-OE2 3.46Å; S193-E286 PolarHBondContact OG-OE2 3.05Å; L194-E286 PolarHBondContact N-OE1 3.27Å; L194-E286 PolarHBondContact N-OE2 2.7Å; G195-E286 WeakPolarHBondContact CA-OE2 3.43Å; G195-E286 VanDerWaalsContact N-CD 3.34Å; G195-E286 PolarHBondContact N-OE1 3.19Å; G195-E286 VanDerWaalsContact N-OE1 3.11Å; G195-E286 PolarHBondContact N-OE2 3.35Å; T280-E286 HydrophobicContact CG2-CB 4.22Å; T280-E286 HydrophobicContact CG2-CG 3.75Å; D283-E286 HydrophobicContact CB-CB 4.18Å; D283-E286 PolarHBondContact O-N 3.11Å; D283-E286 VanDerWaalsContact OD1-CB 3.24Å; D283-E286 WeakPolarHBondContact OD1-CB 3.49Å; D283-E286 PolarHBondContact OD1-N 3.35Å; D283-E286 WeakPolarHBondContact OD2-CB 3.41Å; E286-N289 PolarHBondContact O-N 2.96Å; E286-L290 HydrophobicContact CG-CD1 3.79Å; E286-L290 HydrophobicContact CG-CG 4.24Å; E286-L290 VanDerWaalsContact O-CB 3.28Å; E286-L290 WeakPolarHBondContact O-CB 3.41Å; E286-L290 WeakPolarHBondContact O-CG 3.31Å; E286-L290 PolarHBondContact O-N 2.85Å; E286-L290 WeakPolarHBondContact OE1-CD1 3.43Å
287	V	96.8	Very high	95.8	Very high	40 Å²	40	56.2 Å²	56.2	24%	0.242	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-43.8	176.2	167.7	0	0	0	0	111.3	I277 T280 D283 L290 E291	I277-V287 HydrophobicContact CG2-CG1 4.47Å; T280-V287 HydrophobicContact CG2-CG2 3.78Å; D283-V287 WeakPolarHBondContact O-CG2 3.46Å; D283-V287 PolarHBondContact O-N 2.85Å; V287-L290 PolarHBondContact O-N 2.81Å; V287-E291 PolarHBondContact O-N 2.94Å
288	A	97	Very high	95.8	Very high	52 Å²	52	59.3 Å²	59.3	43%	0.43	30%	0.298	S	S	.	.	H	α-helix	trans	-62.1	-49.1	175.9	0	0	0	0	0	111.5	D284 E285 L290 E291 I292	D284-A288 VanDerWaalsContact O-CB 3.28Å; D284-A288 WeakPolarHBondContact O-CB 3.2Å; D284-A288 PolarHBondContact O-N 2.92Å; E285-A288 PolarHBondContact O-N 3.12Å; A288-L290 VanDerWaalsContact C-N 3.34Å; A288-L290 PolarHBondContact O-N 2.89Å; A288-E291 PolarHBondContact O-N 3.01Å; A288-I292 WeakPolarHBondContact O-CG1 2.99Å; A288-I292 PolarHBondContact O-N 3.03Å
289	N	97.3	Very high	95.8	Very high	32 Å²	32	55.1 Å²	55.1	17%	0.171	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-37.1	178.4	-76.2	-46.2	0	0	0	112.7	V199 E285 E286 S293	V199-N289 HydrophobicContact CG2-CB 4.15Å; V199-N289 VanDerWaalsContact CG2-O 3.28Å; V199-N289 WeakPolarHBondContact CG2-O 3.34Å; E285-N289 WeakPolarHBondContact O-CB 3.01Å; E285-N289 PolarHBondContact O-N 3.28Å; E285-N289 PolarHBondContact O-ND2 2.84Å; E286-N289 PolarHBondContact O-N 2.96Å; N289-S293 WeakPolarHBondContact O-CB 3.21Å; N289-S293 PolarHBondContact O-N 3.49Å; N289-S293 PolarHBondContact O-OG 3.21Å
290	L	97.7	Very high	95.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-38.8	174.5	-73.2	170.9	0	0	0	112.6	L194 L198 L273 I276 I277 E286 V287 A288 S293 R294	L194-L290 HydrophobicContact CB-CD2 4.39Å; L194-L290 HydrophobicContact CD2-CD2 4.37Å; L194-L290 HydrophobicContact CG-CD2 4.29Å; L198-L290 HydrophobicContact CD1-CD2 4.49Å; L273-L290 HydrophobicContact CD2-CD2 4.26Å; I276-L290 HydrophobicContact CG2-CD1 3.82Å; I276-L290 HydrophobicContact CG2-CD2 4.36Å; I277-L290 HydrophobicContact CD1-CB 4.02Å; I277-L290 HydrophobicContact CG1-CB 3.47Å; I277-L290 VanDerWaalsContact CG1-CB 3.47Å; I277-L290 HydrophobicContact CG1-CD1 4.08Å; I277-L290 HydrophobicContact CG1-CG 4.38Å; E286-L290 HydrophobicContact CG-CD1 3.79Å; E286-L290 HydrophobicContact CG-CG 4.24Å; E286-L290 VanDerWaalsContact O-CB 3.28Å; E286-L290 WeakPolarHBondContact O-CB 3.41Å; E286-L290 WeakPolarHBondContact O-CG 3.31Å; E286-L290 PolarHBondContact O-N 2.85Å; E286-L290 WeakPolarHBondContact OE1-CD1 3.43Å; V287-L290 PolarHBondContact O-N 2.81Å; A288-L290 VanDerWaalsContact C-N 3.34Å; A288-L290 PolarHBondContact O-N 2.89Å; L290-S293 WeakPolarHBondContact O-CB 3.48Å; L290-S293 PolarHBondContact O-N 2.73Å; L290-R294 WeakPolarHBondContact O-CB 3.11Å; L290-R294 PolarHBondContact O-N 2.63Å
291	E	97.5	Very high	96	Very high	48 Å²	48	55.4 Å²	55.4	22%	0.224	29%	0.292	C	S	.	.	H	α-helix	trans	-71.5	-31.3	173.8	-90.2	-64.5	157.5	0	0	112.4	I277 V287 A288 R294 K295	I277-E291 HydrophobicContact CD1-CG 3.93Å; I277-E291 HydrophobicContact CG2-CG 4.29Å; V287-E291 PolarHBondContact O-N 2.94Å; A288-E291 PolarHBondContact O-N 3.01Å; E291-R294 PolarHBondContact O-N 3.42Å; E291-R294 VanDerWaalsContact OE1-CD 3.23Å; E291-R294 WeakPolarHBondContact OE1-CD 3.32Å; E291-R294 IonicContact OE1-CZ 2.61Å; E291-R294 IonicContact OE1-NE 3.79Å; E291-R294 IonicContact OE1-NH1 2.7Å; E291-R294 PolarHBondContact OE1-NH1 3.34Å; E291-K295 WeakPolarHBondContact O-CB 3.42Å; E291-K295 VanDerWaalsContact O-CG 3.22Å; E291-K295 WeakPolarHBondContact O-CG 3.48Å; E291-K295 PolarHBondContact O-N 3.45Å
292	I	97.4	Very high	96.3	Very high	81 Å²	81	56.7 Å²	56.7	42%	0.415	29%	0.293	S	S	.	.	H	α-helix	trans	-60.1	-49.4	166.8	-66.7	164.9	0	0	0	109.6	V199 A288 R294 K295 A296	V199-I292 HydrophobicContact CG1-CG2 4.23Å; V199-I292 HydrophobicContact CG2-CB 3.95Å; V199-I292 HydrophobicContact CG2-CG2 3.77Å; A288-I292 WeakPolarHBondContact O-CG1 2.99Å; A288-I292 PolarHBondContact O-N 3.03Å; I292-R294 VanDerWaalsContact C-N 3.28Å; I292-R294 PolarHBondContact O-N 2.8Å; I292-K295 WeakPolarHBondContact O-CB 3.45Å; I292-K295 PolarHBondContact O-N 2.99Å; I292-A296 WeakPolarHBondContact O-CB 3.42Å; I292-A296 PolarHBondContact O-N 3.3Å
293	S	97.3	Very high	96.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-36.9	176.7	-58.4	0	0	0	0	112.5	G195 L198 V199 N289 L290 A296 V297	G195-S293 PolarHBondContact O-OG 2.93Å; L198-S293 WeakPolarHBondContact CB-OG 3.29Å; V199-S293 PolarHBondContact N-OG 2.69Å; N289-S293 WeakPolarHBondContact O-CB 3.21Å; N289-S293 PolarHBondContact O-N 3.49Å; N289-S293 PolarHBondContact O-OG 3.21Å; L290-S293 WeakPolarHBondContact O-CB 3.48Å; L290-S293 PolarHBondContact O-N 2.73Å; S293-A296 WeakPolarHBondContact O-CB 3.45Å; S293-A296 PolarHBondContact O-N 3.26Å; S293-V297 WeakPolarHBondContact O-CG2 3.44Å; S293-V297 PolarHBondContact O-N 3.41Å
294	R	97.5	Very high	96.8	Very high	27 Å²	27	48.1 Å²	48.1	10%	0.102	25%	0.251	C	S	.	.	H	α-helix	trans	-70.3	-41.4	176.2	-169.6	-170.1	174.1	-171.7	1.5	112.2	E270 L273 E274 I277 L290 E291 I292 A296 V297 K298	E270-R294 HydrophobicContact CG-CG 4.11Å; E270-R294 IonicContact OE1-CZ 3.13Å; E270-R294 VanDerWaalsContact OE1-CZ 3.31Å; E270-R294 IonicContact OE1-NE 3.22Å; E270-R294 PolarHBondContact OE1-NE 2.84Å; E270-R294 IonicContact OE1-NH2 2.58Å; E270-R294 PolarHBondContact OE1-NH2 3.36Å; L273-R294 HydrophobicContact CB-CB 4.41Å; L273-R294 HydrophobicContact CB-CG 4.4Å; L273-R294 HydrophobicContact CD1-CB 4.38Å; E274-R294 IonicContact OE1-CZ 2.84Å; E274-R294 IonicContact OE1-NH1 3.61Å; E274-R294 IonicContact OE1-NH2 3.72Å; E274-R294 PolarHBondContact OE1-NH2 3Å; I277-R294 HydrophobicContact CD1-CB 4.11Å; I277-R294 HydrophobicContact CD1-CG 4.49Å; L290-R294 WeakPolarHBondContact O-CB 3.11Å; L290-R294 PolarHBondContact O-N 2.63Å; E291-R294 PolarHBondContact O-N 3.42Å; E291-R294 VanDerWaalsContact OE1-CD 3.23Å; E291-R294 WeakPolarHBondContact OE1-CD 3.32Å; E291-R294 IonicContact OE1-CZ 2.61Å; E291-R294 IonicContact OE1-NE 3.79Å; E291-R294 IonicContact OE1-NH1 2.7Å; E291-R294 PolarHBondContact OE1-NH1 3.34Å; I292-R294 VanDerWaalsContact C-N 3.28Å; I292-R294 PolarHBondContact O-N 2.8Å; R294-A296 VanDerWaalsContact C-N 3.29Å; R294-A296 PolarHBondContact O-N 2.87Å; R294-V297 PolarHBondContact O-N 2.93Å; R294-K298 WeakPolarHBondContact O-CG 3.4Å; R294-K298 PolarHBondContact O-N 2.89Å
295	K	97.5	Very high	96.9	Very high	134 Å²	134	45.8 Å²	45.8	58%	0.583	24%	0.236	S	C	*	.	H	α-helix	trans	-59.9	-41.1	171.6	-71.7	164.3	-174.1	174.2	0	110.6	E291 I292 K298 S299	E291-K295 WeakPolarHBondContact O-CB 3.42Å; E291-K295 VanDerWaalsContact O-CG 3.22Å; E291-K295 WeakPolarHBondContact O-CG 3.48Å; E291-K295 PolarHBondContact O-N 3.45Å; I292-K295 WeakPolarHBondContact O-CB 3.45Å; I292-K295 PolarHBondContact O-N 2.99Å; K295-K298 PolarHBondContact O-N 2.92Å; K295-S299 PolarHBondContact O-N 2.88Å
296	A	97.6	Very high	96.8	Very high	12 Å²	12	44.8 Å²	44.8	10%	0.099	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-48.3	175.2	0	0	0	0	0	111.7	F202 L207 I292 S293 R294 K298 S299 I300	F202-A296 HydrophobicContact CB-CB 3.94Å; F202-A296 HydrophobicContact CD2-CB 4.18Å; F202-A296 HydrophobicContact CG-CB 4.24Å; L207-A296 HydrophobicContact CD1-CB 4.08Å; L207-A296 HydrophobicContact CD2-CB 3.99Å; I292-A296 WeakPolarHBondContact O-CB 3.42Å; I292-A296 PolarHBondContact O-N 3.3Å; S293-A296 WeakPolarHBondContact O-CB 3.45Å; S293-A296 PolarHBondContact O-N 3.26Å; R294-A296 VanDerWaalsContact C-N 3.29Å; R294-A296 PolarHBondContact O-N 2.87Å; A296-K298 PolarHBondContact O-N 3.12Å; A296-S299 WeakPolarHBondContact O-CA 3.1Å; A296-S299 WeakPolarHBondContact O-CB 3.45Å; A296-S299 PolarHBondContact O-N 3.5Å; A296-I300 PolarHBondContact O-N 2.78Å
297	V	97.3	Very high	96.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-41.7	174.7	169.5	0	0	0	0	112.7	F202 W266 V269 E270 L273 S293 R294 S299 I300 I301	F202-V297 HydrophobicContact CE2-CG2 3.94Å; F202-V297 HydrophobicContact CZ-CG2 4.03Å; W266-V297 HydrophobicContact CB-CG1 4.43Å; W266-V297 HydrophobicContact CE3-CB 4.42Å; W266-V297 HydrophobicContact CE3-CG1 3.87Å; W266-V297 HydrophobicContact CE3-CG2 3.89Å; W266-V297 HydrophobicContact CZ3-CG2 3.86Å; V269-V297 HydrophobicContact CB-CG1 4.47Å; V269-V297 HydrophobicContact CG1-CG1 4.5Å; V269-V297 HydrophobicContact CG1-CG2 4.01Å; E270-V297 HydrophobicContact CB-CG1 3.84Å; E270-V297 HydrophobicContact CG-CG1 4.26Å; L273-V297 HydrophobicContact CD1-CB 4.46Å; L273-V297 HydrophobicContact CD1-CG2 3.89Å; S293-V297 WeakPolarHBondContact O-CG2 3.44Å; S293-V297 PolarHBondContact O-N 3.41Å; R294-V297 PolarHBondContact O-N 2.93Å; V297-S299 PolarHBondContact O-N 3.41Å; V297-I300 PolarHBondContact O-N 2.91Å; V297-I301 HydrophobicContact CG1-CD1 4.46Å; V297-I301 PolarHBondContact O-N 3.39Å
298	K	97.4	Very high	96.5	Very high	87 Å²	87	46.3 Å²	46.3	38%	0.378	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-35.2	172.7	-72.9	177.7	179.5	173.8	0	112	E270 R294 K295 A296 I301 K302	E270-K298 HydrophobicContact CG-CG 3.89Å; E270-K298 WeakPolarHBondContact OE1-CE 3.35Å; E270-K298 IonicContact OE1-NZ 3.24Å; R294-K298 WeakPolarHBondContact O-CG 3.4Å; R294-K298 PolarHBondContact O-N 2.89Å; K295-K298 PolarHBondContact O-N 2.92Å; A296-K298 PolarHBondContact O-N 3.12Å; K298-I301 PolarHBondContact O-N 3.49Å; K298-K302 PolarHBondContact O-N 2.79Å; K298-K302 VanDerWaalsContact O-N 3.09Å
299	S	97.1	Very high	96.3	Very high	57 Å²	57	46.1 Å²	46.1	40%	0.399	24%	0.237	S	C	.	.	H	α-helix	trans	-64.9	-42.6	175	-161.2	0	0	0	0	112	K295 A296 V297 I301 K302 S303	K295-S299 PolarHBondContact O-N 2.88Å; A296-S299 WeakPolarHBondContact O-CA 3.1Å; A296-S299 WeakPolarHBondContact O-CB 3.45Å; A296-S299 PolarHBondContact O-N 3.5Å; V297-S299 PolarHBondContact O-N 3.41Å; S299-I301 VanDerWaalsContact C-N 3.35Å; S299-I301 PolarHBondContact O-N 3Å; S299-K302 PolarHBondContact O-N 3.33Å; S299-S303 WeakPolarHBondContact O-CB 3.42Å; S299-S303 PolarHBondContact O-N 3.43Å; S299-S303 PolarHBondContact O-OG 3.47Å
300	I	97.2	Very high	96	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-47.9	175.4	-57.1	169.5	0	0	0	110.5	F202 L207 L210 W266 A296 V297 S303 S304	F202-I300 HydrophobicContact CE1-CD1 4.43Å; L207-I300 HydrophobicContact CD2-CD1 3.77Å; L207-I300 HydrophobicContact CD2-CG1 3.52Å; L210-I300 HydrophobicContact CB-CD1 4.23Å; L210-I300 HydrophobicContact CB-CG1 4.48Å; L210-I300 HydrophobicContact CB-CG2 4.21Å; L210-I300 HydrophobicContact CD1-CD1 3.99Å; W266-I300 HydrophobicContact CD2-CD1 3.96Å; W266-I300 HydrophobicContact CD2-CG2 4.34Å; W266-I300 HydrophobicContact CE3-CD1 4.03Å; W266-I300 HydrophobicContact CG-CG2 4.12Å; W266-I300 HydrophobicContact CH2-CD1 3.91Å; W266-I300 HydrophobicContact CZ2-CD1 3.84Å; W266-I300 HydrophobicContact CZ3-CD1 4Å; A296-I300 PolarHBondContact O-N 2.78Å; V297-I300 PolarHBondContact O-N 2.91Å; I300-S303 PolarHBondContact O-N 3.43Å; I300-S304 VanDerWaalsContact O-CB 3.29Å; I300-S304 WeakPolarHBondContact O-CB 3.48Å; I300-S304 PolarHBondContact O-N 2.96Å; I300-S304 PolarHBondContact O-OG 3.46Å
301	I	96.9	Very high	95.7	Very high	31 Å²	31	51 Å²	51	16%	0.159	26%	0.257	C	S	.	.	H	α-helix	trans	-57.9	-59.6	179.8	-62.4	167.6	0	0	0	109.8	W266 T267 V297 K298 S299 S303 S304 E305	W266-I301 HydrophobicContact CB-CD1 4.14Å; W266-I301 HydrophobicContact CB-CG1 3.69Å; T267-I301 HydrophobicContact CG2-CD1 4.48Å; V297-I301 HydrophobicContact CG1-CD1 4.46Å; V297-I301 PolarHBondContact O-N 3.39Å; K298-I301 PolarHBondContact O-N 3.49Å; S299-I301 VanDerWaalsContact C-N 3.35Å; S299-I301 PolarHBondContact O-N 3Å; I301-S303 VanDerWaalsContact C-N 3.3Å; I301-S303 PolarHBondContact O-N 2.69Å; I301-S304 PolarHBondContact O-N 3.26Å; I301-S304 VanDerWaalsContact O-N 3.16Å; I301-S304 PolarHBondContact O-OG 3.17Å; I301-E305 WeakPolarHBondContact O-CG 3.46Å; I301-E305 PolarHBondContact O-N 3.06Å
302	K	96.6	Very high	95.4	Very high	128 Å²	128	53.4 Å²	53.4	56%	0.557	27%	0.269	S	S	*	.	H	α-helix	trans	-61	-36.6	-177.3	-177	174.4	179.3	175.6	0	113.1	K298 S299 T306	K298-K302 PolarHBondContact O-N 2.79Å; K298-K302 VanDerWaalsContact O-N 3.09Å; S299-K302 PolarHBondContact O-N 3.33Å; K302-T306 WeakPolarHBondContact O-CB 3.23Å; K302-T306 PolarHBondContact O-N 3Å; K302-T306 PolarHBondContact O-OG1 2.91Å
303	S	96.5	Very high	95.2	Very high	38 Å²	38	51.8 Å²	51.8	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-71.4	-39.3	178.5	-57.5	0	0	0	0	111.3	S211 S299 I300 I301 E305 T306 I307	S211-S303 WeakPolarHBondContact OG-CB 3.34Å; S299-S303 WeakPolarHBondContact O-CB 3.42Å; S299-S303 PolarHBondContact O-N 3.43Å; S299-S303 PolarHBondContact O-OG 3.47Å; I300-S303 PolarHBondContact O-N 3.43Å; I301-S303 VanDerWaalsContact C-N 3.3Å; I301-S303 PolarHBondContact O-N 2.69Å; S303-E305 PolarHBondContact O-N 2.83Å; S303-T306 WeakPolarHBondContact O-CB 3.4Å; S303-T306 PolarHBondContact O-N 3.33Å; S303-I307 WeakPolarHBondContact O-CB 3.16Å; S303-I307 WeakPolarHBondContact O-CD1 3.39Å; S303-I307 VanDerWaalsContact O-CG1 3.28Å; S303-I307 WeakPolarHBondContact O-CG1 3.49Å; S303-I307 PolarHBondContact O-N 2.95Å
304	S	95.8	Very high	94.8	Very high	8 Å²	8	54.5 Å²	54.5	6%	0.056	27%	0.274	C	S	.	.	H	α-helix	trans	-65.1	-36.1	174.3	72.3	0	0	0	0	112.8	I300 I301 I307 L308	I300-S304 VanDerWaalsContact O-CB 3.29Å; I300-S304 WeakPolarHBondContact O-CB 3.48Å; I300-S304 PolarHBondContact O-N 2.96Å; I300-S304 PolarHBondContact O-OG 3.46Å; I301-S304 PolarHBondContact O-N 3.26Å; I301-S304 VanDerWaalsContact O-N 3.16Å; I301-S304 PolarHBondContact O-OG 3.17Å; S304-I307 PolarHBondContact O-N 3.06Å; S304-L308 WeakPolarHBondContact O-CB 3.41Å; S304-L308 PolarHBondContact O-N 2.66Å
305	E	94	Very high	94.4	Very high	86 Å²	86	54.2 Å²	54.2	40%	0.402	28%	0.28	S	S	.	.	H	α-helix	trans	-66.8	-37.8	171.6	-69	172.6	156.3	0	0	112.1	I301 S303 T309	I301-E305 WeakPolarHBondContact O-CG 3.46Å; I301-E305 PolarHBondContact O-N 3.06Å; S303-E305 PolarHBondContact O-N 2.83Å; E305-T309 WeakPolarHBondContact O-CB 3.27Å; E305-T309 PolarHBondContact O-N 3.14Å; E305-T309 PolarHBondContact O-OG1 3.11Å
306	T	94.2	Very high	94.1	Very high	77 Å²	77	50.9 Å²	50.9	47%	0.472	27%	0.265	S	S	.	.	H	α-helix	trans	-65.7	-43.8	175.3	-54.8	0	0	0	0	111	K302 S303 T309 E310	K302-T306 WeakPolarHBondContact O-CB 3.23Å; K302-T306 PolarHBondContact O-N 3Å; K302-T306 PolarHBondContact O-OG1 2.91Å; S303-T306 WeakPolarHBondContact O-CB 3.4Å; S303-T306 PolarHBondContact O-N 3.33Å; T306-T309 WeakPolarHBondContact O-CB 3.42Å; T306-T309 PolarHBondContact O-N 2.93Å; T306-E310 PolarHBondContact O-N 3.49Å
307	I	93.9	Very high	93.9	Very high	37 Å²	37	50.8 Å²	50.8	19%	0.19	26%	0.263	C	S	.	.	H	α-helix	trans	-68.5	-39.5	178.5	-69.9	162.9	0	0	0	111.4	Q212 S303 S304 T309 E310 F311	Q212-I307 HydrophobicContact CG-CD1 4.26Å; S303-I307 WeakPolarHBondContact O-CB 3.16Å; S303-I307 WeakPolarHBondContact O-CD1 3.39Å; S303-I307 VanDerWaalsContact O-CG1 3.28Å; S303-I307 WeakPolarHBondContact O-CG1 3.49Å; S303-I307 PolarHBondContact O-N 2.95Å; S304-I307 PolarHBondContact O-N 3.06Å; I307-T309 VanDerWaalsContact C-N 3.34Å; I307-T309 PolarHBondContact O-N 2.8Å; I307-E310 PolarHBondContact O-N 3.44Å; I307-F311 HydrophobicContact CG2-CD2 3.76Å; I307-F311 HydrophobicContact CG2-CE2 3.44Å; I307-F311 VanDerWaalsContact CG2-CE2 3.44Å; I307-F311 HydrophobicContact CG2-CZ 4.44Å; I307-F311 WeakPolarHBondContact O-CD2 3.33Å; I307-F311 PolarHBondContact O-N 2.85Å
308	L	93.6	Very high	93.5	Very high	37 Å²	37	54.7 Å²	54.7	19%	0.194	28%	0.278	C	S	.	.	H	α-helix	trans	-53.4	-52.5	168.1	163.1	66.8	0	0	0	110.6	L218 Y219 S304 E310 F311 E312	L218-L308 HydrophobicContact CB-CB 4.14Å; L218-L308 HydrophobicContact CB-CD1 4.23Å; L218-L308 HydrophobicContact CB-CD2 4.21Å; L218-L308 HydrophobicContact CB-CG 4.42Å; L218-L308 HydrophobicContact CD1-CB 4.48Å; Y219-L308 HydrophobicContact CD2-CD1 4.34Å; S304-L308 WeakPolarHBondContact O-CB 3.41Å; S304-L308 PolarHBondContact O-N 2.66Å; L308-E310 VanDerWaalsContact C-N 3.3Å; L308-E310 PolarHBondContact O-N 3.28Å; L308-F311 PolarHBondContact O-N 3.04Å; L308-E312 HydrophobicContact CD1-CG 4.1Å; L308-E312 PolarHBondContact O-N 3.18Å
309	T	91.7	Very high	93.2	Very high	49 Å²	49	53.8 Å²	53.8	30%	0.301	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-41.4	-178.3	-53.9	0	0	0	0	110.9	E305 T306 I307 E312 Y313	E305-T309 WeakPolarHBondContact O-CB 3.27Å; E305-T309 PolarHBondContact O-N 3.14Å; E305-T309 PolarHBondContact O-OG1 3.11Å; T306-T309 WeakPolarHBondContact O-CB 3.42Å; T306-T309 PolarHBondContact O-N 2.93Å; I307-T309 VanDerWaalsContact C-N 3.34Å; I307-T309 PolarHBondContact O-N 2.8Å; T309-E312 PolarHBondContact O-N 2.74Å; T309-Y313 HydrophobicContact CG2-CD1 4.37Å; T309-Y313 HydrophobicContact CG2-CD2 3.95Å; T309-Y313 HydrophobicContact CG2-CE1 4.16Å; T309-Y313 HydrophobicContact CG2-CE2 3.7Å; T309-Y313 HydrophobicContact CG2-CG 4.28Å; T309-Y313 VanDerWaalsContact O-CB 3.25Å; T309-Y313 WeakPolarHBondContact O-CB 3.44Å; T309-Y313 PolarHBondContact O-N 2.76Å
310	E	91.4	Very high	93	Very high	80 Å²	80	51.1 Å²	51.1	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-64.4	-39.9	176.9	-179.4	148.5	-149.9	0	0	113	T306 I307 L308 T314 K359	T306-E310 PolarHBondContact O-N 3.49Å; I307-E310 PolarHBondContact O-N 3.44Å; L308-E310 VanDerWaalsContact C-N 3.3Å; L308-E310 PolarHBondContact O-N 3.28Å; E310-T314 VanDerWaalsContact O-CB 3.27Å; E310-T314 WeakPolarHBondContact O-CB 3.38Å; E310-T314 PolarHBondContact O-N 3.5Å; E310-T314 PolarHBondContact O-OG1 3.31Å; E310-K359 WeakPolarHBondContact OE1-CE 3.4Å; E310-K359 IonicContact OE1-NZ 2.92Å; E310-K359 PolarHBondContact OE1-NZ 2.98Å; E310-K359 IonicContact OE2-NZ 3.46Å; E310-K359 PolarHBondContact OE2-NZ 2.92Å
311	F	90.5	Very high	92.7	Very high	54 Å²	54	51.6 Å²	51.6	24%	0.237	26%	0.26	C	S	.	.	H	α-helix	trans	-70.5	-34.2	174	-74.6	-55.9	0	0	0	113.4	H216 Y219 I307 L308 G315	H216-F311 AromaticContact CE1-CE2 3.67Å; H216-F311 AromaticContact CE1-CZ 3.26Å; H216-F311 WeakPolarHBondContact CE1-CZ 3.23Å; H216-F311 AromaticContact ND1-CE2 3.68Å; H216-F311 AromaticContact ND1-CZ 3.7Å; H216-F311 AromaticContact NE2-CZ 3.74Å; Y219-F311 HydrophobicContact CD1-CB 3.98Å; Y219-F311 HydrophobicContact CD1-CG 4.35Å; Y219-F311 HydrophobicContact CD2-CB 3.39Å; Y219-F311 HydrophobicContact CD2-CG 4.48Å; Y219-F311 HydrophobicContact CE1-CB 4.07Å; Y219-F311 HydrophobicContact CE2-CB 3.48Å; Y219-F311 VanDerWaalsContact CE2-CB 3.48Å; Y219-F311 VanDerWaalsContact CE2-O 3.26Å; Y219-F311 WeakPolarHBondContact CE2-O 3.46Å; Y219-F311 HydrophobicContact CG-CB 3.61Å; Y219-F311 HydrophobicContact CG-CD2 4.41Å; Y219-F311 HydrophobicContact CG-CG 4.26Å; Y219-F311 PolarHBondContact OH-O 2.68Å; I307-F311 HydrophobicContact CG2-CD2 3.76Å; I307-F311 HydrophobicContact CG2-CE2 3.44Å; I307-F311 VanDerWaalsContact CG2-CE2 3.44Å; I307-F311 HydrophobicContact CG2-CZ 4.44Å; I307-F311 WeakPolarHBondContact O-CD2 3.33Å; I307-F311 PolarHBondContact O-N 2.85Å; L308-F311 PolarHBondContact O-N 3.04Å; F311-G315 PolarHBondContact O-N 2.66Å
312	E	91.2	Very high	92.3	Very high	98 Å²	98	56.4 Å²	56.4	46%	0.458	28%	0.284	S	S	.	.	H	α-helix	trans	-68.2	-45	172.9	-69.5	-162.8	140	0	0	111.4	Y219 L308 T309 G315 K316	Y219-E312 HydrophobicContact CD2-CG 3.83Å; Y219-E312 HydrophobicContact CE2-CG 3.89Å; L308-E312 HydrophobicContact CD1-CG 4.1Å; L308-E312 PolarHBondContact O-N 3.18Å; T309-E312 PolarHBondContact O-N 2.74Å; E312-G315 PolarHBondContact O-N 3.47Å; E312-K316 PolarHBondContact O-N 3Å
313	Y	93.4	Very high	92.1	Very high	47 Å²	47	52.7 Å²	52.7	18%	0.184	27%	0.27	C	S	.	.	H	α-helix	trans	-67.5	-37	177.7	-77.8	2.4	0	0	0	113.1	T309 G315 K316 L317 L360 I361	T309-Y313 HydrophobicContact CG2-CD1 4.37Å; T309-Y313 HydrophobicContact CG2-CD2 3.95Å; T309-Y313 HydrophobicContact CG2-CE1 4.16Å; T309-Y313 HydrophobicContact CG2-CE2 3.7Å; T309-Y313 HydrophobicContact CG2-CG 4.28Å; T309-Y313 VanDerWaalsContact O-CB 3.25Å; T309-Y313 WeakPolarHBondContact O-CB 3.44Å; T309-Y313 PolarHBondContact O-N 2.76Å; Y313-G315 VanDerWaalsContact C-N 3.35Å; Y313-K316 PolarHBondContact O-N 3.17Å; Y313-L317 VanDerWaalsContact O-CB 3.24Å; Y313-L317 WeakPolarHBondContact O-CB 3.48Å; Y313-L317 PolarHBondContact O-N 3.34Å; Y313-L360 HydrophobicContact CD1-CD2 4.27Å; Y313-L360 HydrophobicContact CD2-CG 4.45Å; Y313-L360 WeakPolarHBondContact CD2-O 3.29Å; Y313-L360 HydrophobicContact CG-CD2 4.1Å; Y313-L360 HydrophobicContact CG-CG 4.29Å; Y313-L360 WeakPolarHBondContact O-CD2 3.11Å; Y313-I361 WeakPolarHBondContact CE2-O 3.33Å
314	T	90.2	Very high	91.8	Very high	57 Å²	57	51.6 Å²	51.6	35%	0.35	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-42.1	172.9	-59.1	0	0	0	0	111	E310 R318	E310-T314 VanDerWaalsContact O-CB 3.27Å; E310-T314 WeakPolarHBondContact O-CB 3.38Å; E310-T314 PolarHBondContact O-N 3.5Å; E310-T314 PolarHBondContact O-OG1 3.31Å; T314-R318 PolarHBondContact O-N 2.97Å; T314-R318 VanDerWaalsContact O-N 3.14Å
315	G	88.9	Confident	91.2	Very high	22 Å²	22	53.1 Å²	53.1	23%	0.227	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-44.6	173.4	0	0	0	0	0	112.5	F311 E312 Y313 R318 E319	F311-G315 PolarHBondContact O-N 2.66Å; E312-G315 PolarHBondContact O-N 3.47Å; Y313-G315 VanDerWaalsContact C-N 3.35Å; G315-R318 PolarHBondContact O-N 3Å; G315-E319 WeakPolarHBondContact O-CB 3.45Å; G315-E319 PolarHBondContact O-N 3.35Å
316	K	91.4	Very high	90.4	Very high	63 Å²	63	50.2 Å²	50.2	27%	0.274	26%	0.256	S	S	.	.	H	α-helix	trans	-66.5	-39.3	177.8	-83	-75.5	167.1	-158.3	0	113.4	E312 Y313 R318 E319 F320 L360	E312-K316 PolarHBondContact O-N 3Å; Y313-K316 PolarHBondContact O-N 3.17Å; K316-R318 VanDerWaalsContact C-N 3.32Å; K316-R318 PolarHBondContact O-N 3.22Å; K316-E319 WeakPolarHBondContact CE-OE2 3.42Å; K316-E319 IonicContact NZ-OE1 2.64Å; K316-E319 PolarHBondContact NZ-OE1 3.06Å; K316-E319 IonicContact NZ-OE2 3.14Å; K316-E319 PolarHBondContact NZ-OE2 2.98Å; K316-E319 WeakPolarHBondContact O-CB 3.49Å; K316-E319 PolarHBondContact O-N 2.93Å; K316-F320 HydrophobicContact CB-CE2 4.4Å; K316-F320 WeakPolarHBondContact O-CD2 3.5Å; K316-F320 WeakPolarHBondContact O-CG 3.4Å; K316-F320 PolarHBondContact O-N 2.97Å; K316-L360 HydrophobicContact CB-CD2 4.02Å
317	L	92.9	Very high	88.8	Confident	11 Å²	11	51 Å²	51	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-43.6	175.2	-177.1	60.6	0	0	0	111.4	Y313 F320 A321 L353 A358 L360 L390	Y313-L317 VanDerWaalsContact O-CB 3.24Å; Y313-L317 WeakPolarHBondContact O-CB 3.48Å; Y313-L317 PolarHBondContact O-N 3.34Å; L317-F320 PolarHBondContact O-N 2.9Å; L317-A321 WeakPolarHBondContact O-CB 3.28Å; L317-A321 PolarHBondContact O-N 2.77Å; L317-L353 HydrophobicContact CD1-CD2 3.49Å; L317-L353 VanDerWaalsContact CD1-CD2 3.49Å; L317-A358 HydrophobicContact CD2-CB 3.79Å; L317-A358 WeakPolarHBondContact CD2-O 3.45Å; L317-L360 HydrophobicContact CB-CB 4.29Å; L317-L360 HydrophobicContact CB-CD2 4.46Å; L317-L360 HydrophobicContact CD1-CB 4.44Å; L317-L360 HydrophobicContact CD2-CB 4.47Å; L317-L390 HydrophobicContact CD1-CD2 3.63Å
318	R	89.6	Confident	86.7	Confident	82 Å²	82	54.6 Å²	54.6	31%	0.309	29%	0.285	S	S	.	.	H	α-helix	trans	-66	-41.2	174.2	-167.7	-171.7	-58	151.5	-5.8	112.5	D6 T314 G315 K316 F320 A321 M322	D6-R318 IonicContact OD1-CZ 3.82Å; D6-R318 IonicContact OD1-NH1 2.74Å; D6-R318 PolarHBondContact OD1-NH1 2.84Å; D6-R318 IonicContact OD1-NH2 2.75Å; D6-R318 PolarHBondContact OD1-NH2 3.49Å; D6-R318 IonicContact OD2-CZ 2.7Å; D6-R318 VanDerWaalsContact OD2-CZ 3.31Å; D6-R318 IonicContact OD2-NH1 3.68Å; D6-R318 PolarHBondContact OD2-NH1 3.15Å; D6-R318 IonicContact OD2-NH2 3.86Å; T314-R318 PolarHBondContact O-N 2.97Å; T314-R318 VanDerWaalsContact O-N 3.14Å; G315-R318 PolarHBondContact O-N 3Å; K316-R318 VanDerWaalsContact C-N 3.32Å; K316-R318 PolarHBondContact O-N 3.22Å; R318-F320 VanDerWaalsContact C-N 3.35Å; R318-F320 PolarHBondContact O-N 3.05Å; R318-A321 CarbonylContact O-C 3.54Å; R318-A321 PolarHBondContact O-N 2.85Å; R318-A321 VanDerWaalsContact O-N 3.15Å; R318-M322 HydrophobicContact CG-CG 4.37Å; R318-M322 HydrophobicContact CG-SD 4.03Å; R318-M322 WeakPolarHBondContact O-CB 3.35Å; R318-M322 WeakPolarHBondContact O-CG 3.49Å; R318-M322 PolarHBondContact O-N 2.99Å
319	E	90.6	Very high	84.1	Confident	68 Å²	68	57.9 Å²	57.9	32%	0.318	31%	0.31	S	S	.	.	H	α-helix	trans	-57.2	-46.6	174.2	-176.2	-177.2	148.1	0	0	111	G315 K316 M322 L323	G315-E319 WeakPolarHBondContact O-CB 3.45Å; G315-E319 PolarHBondContact O-N 3.35Å; K316-E319 WeakPolarHBondContact CE-OE2 3.42Å; K316-E319 IonicContact NZ-OE1 2.64Å; K316-E319 PolarHBondContact NZ-OE1 3.06Å; K316-E319 IonicContact NZ-OE2 3.14Å; K316-E319 PolarHBondContact NZ-OE2 2.98Å; K316-E319 WeakPolarHBondContact O-CB 3.49Å; K316-E319 PolarHBondContact O-N 2.93Å; E319-M322 PolarHBondContact O-N 2.97Å; E319-L323 HydrophobicContact CG-CD1 3.75Å; E319-L323 VanDerWaalsContact O-CB 3.28Å; E319-L323 WeakPolarHBondContact O-CB 3.23Å; E319-L323 VanDerWaalsContact O-CG 3.26Å; E319-L323 WeakPolarHBondContact O-CG 3.37Å; E319-L323 PolarHBondContact O-N 2.87Å
320	F	92.7	Very high	81.6	Confident	1 Å²	1	61.2 Å²	61.2	0%	0.004	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-44	172.3	-62.4	-48.7	0	0	0	112.2	K316 L317 R318 M322 L323 L324 H363 E386 V388 L397 Y406	K316-F320 HydrophobicContact CB-CE2 4.4Å; K316-F320 WeakPolarHBondContact O-CD2 3.5Å; K316-F320 WeakPolarHBondContact O-CG 3.4Å; K316-F320 PolarHBondContact O-N 2.97Å; L317-F320 PolarHBondContact O-N 2.9Å; R318-F320 VanDerWaalsContact C-N 3.35Å; R318-F320 PolarHBondContact O-N 3.05Å; F320-M322 VanDerWaalsContact C-N 3.27Å; F320-M322 PolarHBondContact O-N 2.92Å; F320-L323 PolarHBondContact O-N 2.81Å; F320-L324 VanDerWaalsContact O-CB 3.3Å; F320-L324 WeakPolarHBondContact O-CB 3.21Å; F320-L324 PolarHBondContact O-N 2.97Å; F320-H363 HydrophobicContact CE2-CB 4.02Å; F320-H363 HydrophobicContact CZ-CB 4.17Å; F320-E386 HydrophobicContact CE1-CG 4.07Å; F320-E386 HydrophobicContact CZ-CG 3.93Å; F320-V388 HydrophobicContact CD2-CG1 4.14Å; F320-V388 HydrophobicContact CD2-CG2 4.35Å; F320-V388 HydrophobicContact CE1-CG2 4.42Å; F320-V388 HydrophobicContact CE2-CG1 4.05Å; F320-V388 HydrophobicContact CE2-CG2 3.94Å; F320-V388 HydrophobicContact CZ-CG2 3.98Å; F320-L397 HydrophobicContact CB-CD1 4.29Å; F320-L397 HydrophobicContact CD1-CD1 3.56Å; F320-L397 HydrophobicContact CE1-CD1 4.1Å; F320-L397 HydrophobicContact CG-CD1 4.06Å; F320-Y406 HydrophobicContact CD1-CD2 4.38Å; F320-Y406 HydrophobicContact CD1-CE2 4.15Å; F320-Y406 HydrophobicContact CE1-CE2 4.32Å
321	A	91.4	Very high	79.3	Confident	9 Å²	9	63.4 Å²	63.4	7%	0.074	35%	0.35	C	S	.	.	H	α-helix	trans	-66	-23.6	179.5	0	0	0	0	0	114.7	L317 R318 L350 L353 K354	L317-A321 WeakPolarHBondContact O-CB 3.28Å; L317-A321 PolarHBondContact O-N 2.77Å; R318-A321 CarbonylContact O-C 3.54Å; R318-A321 PolarHBondContact O-N 2.85Å; R318-A321 VanDerWaalsContact O-N 3.15Å; A321-L350 WeakPolarHBondContact O-CD1 3.25Å; A321-L353 HydrophobicContact CB-CB 3.88Å; A321-K354 HydrophobicContact CB-CG 4.17Å
322	M	88.8	Confident	76.6	Confident	133 Å²	133	64.1 Å²	64.1	66%	0.655	37%	0.373	S	S	*	.	H	α-helix	trans	-92.2	-27.3	176.6	-71.6	178.7	68.9	0	0	113.1	R318 E319 F320	R318-M322 HydrophobicContact CG-CG 4.37Å; R318-M322 HydrophobicContact CG-SD 4.03Å; R318-M322 WeakPolarHBondContact O-CB 3.35Å; R318-M322 WeakPolarHBondContact O-CG 3.49Å; R318-M322 PolarHBondContact O-N 2.99Å; E319-M322 PolarHBondContact O-N 2.97Å; F320-M322 VanDerWaalsContact C-N 3.27Å; F320-M322 PolarHBondContact O-N 2.92Å
323	L	90.9	Very high	73.8	Confident	50 Å²	50	66.1 Å²	66.1	26%	0.262	39%	0.392	S	S	.	.	H	α-helix	trans	-102.9	-7.5	-175.5	-61.3	177.5	0	0	0	113.7	E319 F320 D325 R405 Y406	E319-L323 HydrophobicContact CG-CD1 3.75Å; E319-L323 VanDerWaalsContact O-CB 3.28Å; E319-L323 WeakPolarHBondContact O-CB 3.23Å; E319-L323 VanDerWaalsContact O-CG 3.26Å; E319-L323 WeakPolarHBondContact O-CG 3.37Å; E319-L323 PolarHBondContact O-N 2.87Å; F320-L323 PolarHBondContact O-N 2.81Å; L323-D325 PolarHBondContact O-N 2.97Å; L323-R405 CarbonylContact O-C 3.52Å; L323-R405 WeakPolarHBondContact O-CA 3.45Å; L323-R405 WeakPolarHBondContact O-CB 3.22Å; L323-Y406 HydrophobicContact CB-CD2 3.84Å; L323-Y406 HydrophobicContact CB-CE2 4.33Å; L323-Y406 HydrophobicContact CD1-CE2 4.22Å; L323-Y406 PolarHBondContact O-N 3.34Å
324	L	90.1	Very high	71.2	Confident	14 Å²	14	70.3 Å²	70.3	7%	0.073	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-64.9	120.3	172.6	-178.3	63.3	0	0	0	110.7	F320 V326 L349 L350 L353 L397 Y406	F320-L324 VanDerWaalsContact O-CB 3.3Å; F320-L324 WeakPolarHBondContact O-CB 3.21Å; F320-L324 PolarHBondContact O-N 2.97Å; L324-V326 HydrophobicContact CD2-CG2 4.12Å; L324-V326 HydrophobicContact CG-CG2 4Å; L324-V326 PolarHBondContact O-N 2.87Å; L324-L349 HydrophobicContact CD2-CD2 4.08Å; L324-L349 HydrophobicContact CD2-CG 4.26Å; L324-L350 HydrophobicContact CD2-CB 4.47Å; L324-L350 HydrophobicContact CD2-CD1 4.28Å; L324-L353 HydrophobicContact CD2-CD1 3.96Å; L324-L397 HydrophobicContact CD1-CD2 3.83Å; L324-Y406 WeakPolarHBondContact CA-O 3.22Å
325	D	84.2	Confident	68.5	Low	41 Å²	41	75 Å²	75	22%	0.219	44%	0.442	C	S	.	.			trans	-80.3	99.7	178.5	-151.3	-9.2	0	0	0	109.7	L323 I400 R405 Y406	L323-D325 PolarHBondContact O-N 2.97Å; D325-I400 HydrophobicContact CB-CD1 3.79Å; D325-I400 WeakPolarHBondContact OD2-CD1 3.39Å; D325-R405 HydrophobicContact CB-CB 4.27Å; D325-R405 VanDerWaalsContact CG-CZ 3.43Å; D325-R405 IonicContact OD1-CZ 3.44Å; D325-R405 IonicContact OD1-NE 3.01Å; D325-R405 PolarHBondContact OD1-NE 3.22Å; D325-R405 IonicContact OD1-NH2 2.7Å; D325-R405 PolarHBondContact OD1-NH2 3.28Å; D325-R405 IonicContact OD2-CZ 3.13Å; D325-R405 IonicContact OD2-NE 2.67Å; D325-R405 PolarHBondContact OD2-NE 3.02Å; D325-R405 IonicContact OD2-NH2 3.87Å; D325-R405 PolarHBondContact OD2-NH2 3.25Å; D325-Y406 WeakPolarHBondContact CB-O 3.39Å; D325-Y406 PolarHBondContact N-O 2.86Å
326	V	76.7	Confident	66	Low	24 Å²	24	79 Å²	79	15%	0.145	46%	0.456	C	S	.	.			trans	-103.1	117.9	173.6	-175.9	0	0	0	0	108.2	L324 D328 E346 L347 L350	L324-V326 HydrophobicContact CD2-CG2 4.12Å; L324-V326 HydrophobicContact CG-CG2 4Å; L324-V326 PolarHBondContact O-N 2.87Å; V326-D328 VanDerWaalsContact C-N 3.32Å; V326-D328 PolarHBondContact O-N 2.97Å; V326-E346 HydrophobicContact CG1-CB 4.09Å; V326-E346 HydrophobicContact CG2-CB 4.13Å; V326-L347 HydrophobicContact CG1-CD2 3.86Å; V326-L347 HydrophobicContact CG1-CG 4.04Å; V326-L350 HydrophobicContact CB-CD2 4.45Å; V326-L350 HydrophobicContact CG2-CB 4.24Å; V326-L350 HydrophobicContact CG2-CD1 4.46Å; V326-L350 HydrophobicContact CG2-CD2 3.93Å; V326-L350 HydrophobicContact CG2-CG 4.44Å
327	S	61.7	Low	63.5	Low	95 Å²	95	81.3 Å²	81.3	66%	0.664	48%	0.481	S	S	*	.			trans	-73.2	81.8	-177.9	-62.4	0	0	0	0	111.7	S329	S327-S329 PolarHBondContact O-N 3.44Å
328	D	49.6	Very low	60.7	Low	112 Å²	112	89.3 Å²	89.3	60%	0.599	52%	0.522	S	S	*	.			trans	-57.8	105.6	172.3	-80.7	-27.7	0	0	0	110.6	V326 T330	V326-D328 VanDerWaalsContact C-N 3.32Å; V326-D328 PolarHBondContact O-N 2.97Å; D328-T330 PolarHBondContact O-N 3.34Å
329	S	39.3	Very low	58	Low	105 Å²	105	89.4 Å²	89.4	73%	0.734	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	13.8	178.4	55.8	0	0	0	0	113.7	S327	S327-S329 PolarHBondContact O-N 3.44Å
330	T	38.8	Very low	55.2	Low	119 Å²	119	91.7 Å²	91.7	73%	0.73	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	14.7	-161.8	-29.1	0	0	0	0	114.1	D328	D328-T330 PolarHBondContact O-N 3.34Å
331	T	42.4	Very low	52.9	Low	126 Å²	126	99.1 Å²	99.1	77%	0.773	60%	0.599	S	S	*	*	S	Bend	trans	-128.2	99.5	172.5	56.1	0	0	0	0	113.5
332	G	33.7	Very low	50.5	Low	69 Å²	69	104.2 Å²	104.2	71%	0.711	62%	0.623	S	S	*	*	S	Bend	trans	75.4	96.4	149.8	0	0	0	0	0	118.7
333	T	33.2	Very low	49	Very low	141 Å²	141	100.3 Å²	100.3	87%	0.865	61%	0.609	S	S	*	*			trans	62.4	83	138.6	-45.5	0	0	0	0	118.3
334	T	37.6	Very low	48.1	Very low	134 Å²	134	101.4 Å²	101.4	82%	0.822	62%	0.621	S	S	*	*			trans	-161	133.4	131.4	-78.5	0	0	0	0	109.7
335	M	34.7	Very low	47.4	Very low	155 Å²	155	103.6 Å²	103.6	76%	0.764	63%	0.633	S	S	*	*			trans	-89.9	154.6	178.7	-89.5	-154	-75.2	0	0	113.8	R751	M335-R751 PolarHBondContact O-NH1 3.29Å
336	M	36.7	Very low	47.4	Very low	107 Å²	107	102.8 Å²	102.8	53%	0.527	63%	0.628	S	S	.	*			trans	62.5	96.5	169	-59.7	179.2	-174.7	0	0	116.6	R751	M336-R751 PolarHBondContact O-NH1 3.42Å; M336-R751 VanDerWaalsContact O-NH1 3.14Å; M336-R751 PolarHBondContact O-NH2 3.44Å
337	S	37.6	Very low	47.7	Very low	112 Å²	112	104.9 Å²	104.9	78%	0.783	64%	0.638	S	S	*	*			trans	-148.3	153.4	136.8	-161.9	0	0	0	0	109.4
338	L	34	Very low	49	Very low	178 Å²	178	105.3 Å²	105.3	93%	0.932	63%	0.625	S	S	*	*			trans	-100.6	105.7	-172.1	-62	100.5	0	0	0	111.9
339	S	34.4	Very low	50.9	Low	84 Å²	84	100 Å²	100	59%	0.587	60%	0.596	S	S	*	*			trans	-158.5	53	170	56	0	0	0	0	112.5	N341	S339-N341 PolarHBondContact O-N 3.18Å
340	S	29.7	Very low	53.3	Low	116 Å²	116	96 Å²	96	81%	0.811	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	93.9	175.9	52.8	0	0	0	0	111.5
341	N	44.7	Very low	55.7	Low	158 Å²	158	95.7 Å²	95.7	85%	0.845	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177.4	-16.5	160.3	-95.3	-15.2	0	0	0	112.1	S339 S343	S339-N341 PolarHBondContact O-N 3.18Å; N341-S343 PolarHBondContact O-N 3.42Å
342	I	42.4	Very low	57.9	Low	115 Å²	115	92.1 Å²	92.1	59%	0.59	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	98.9	176	-57.5	168.6	0	0	0	109.5
343	S	57.4	Low	60.6	Low	51 Å²	51	89.2 Å²	89.2	36%	0.357	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-178.1	-36.2	159.4	-79.7	0	0	0	0	113.6	N341 D345 L347	N341-S343 PolarHBondContact O-N 3.42Å; S343-D345 PolarHBondContact O-N 3.03Å; S343-L347 WeakPolarHBondContact O-CB 3.35Å; S343-L347 WeakPolarHBondContact O-CD1 3.33Å; S343-L347 WeakPolarHBondContact O-CG 3.26Å; S343-L347 PolarHBondContact O-N 3.42Å
344	S	71.2	Confident	63.3	Low	73 Å²	73	88.6 Å²	88.6	51%	0.51	49%	0.489	S	S	.	.	H	α-helix	trans	-67.6	-42.7	-163.7	57	0	0	0	0	114.5	R348	S344-R348 VanDerWaalsContact O-CB 3.24Å; S344-R348 WeakPolarHBondContact O-CB 3.22Å; S344-R348 PolarHBondContact O-N 2.98Å
345	D	75.9	Confident	65.7	Low	61 Å²	61	84.1 Å²	84.1	33%	0.326	46%	0.463	S	S	.	.	H	α-helix	trans	-84.6	-39.6	-162.5	-73	7.7	0	0	0	111.7	S343 R348 L349 I417	S343-D345 PolarHBondContact O-N 3.03Å; D345-R348 PolarHBondContact O-N 2.92Å; D345-L349 VanDerWaalsContact O-CB 3.27Å; D345-L349 WeakPolarHBondContact O-CB 3.42Å; D345-L349 PolarHBondContact O-N 2.61Å; D345-I417 HydrophobicContact CB-CD1 4.18Å
346	E	83.2	Confident	68	Low	24 Å²	24	82.8 Å²	82.8	11%	0.112	47%	0.466	C	S	.	.	H	α-helix	trans	-60.9	-43.4	169.3	-72.6	81.9	177.8	0	0	111.9	V326 L349 L350 L408 R410	V326-E346 HydrophobicContact CG1-CB 4.09Å; V326-E346 HydrophobicContact CG2-CB 4.13Å; E346-L349 PolarHBondContact O-N 2.88Å; E346-L350 VanDerWaalsContact O-CB 3.31Å; E346-L350 WeakPolarHBondContact O-CB 3.26Å; E346-L350 PolarHBondContact O-N 3.4Å; E346-L408 HydrophobicContact CG-CB 4.42Å; E346-L408 HydrophobicContact CG-CD2 4.24Å; E346-R410 VanDerWaalsContact CD-NH2 3.29Å; E346-R410 IonicContact OE1-CZ 3.22Å; E346-R410 IonicContact OE1-NE 2.68Å; E346-R410 PolarHBondContact OE1-NE 3.24Å; E346-R410 IonicContact OE1-NH2 3.04Å; E346-R410 PolarHBondContact OE1-NH2 2.84Å; E346-R410 IonicContact OE2-NH2 3.99Å; E346-R410 PolarHBondContact OE2-NH2 3.07Å
347	L	84.2	Confident	70.2	Confident	68 Å²	68	84.6 Å²	84.6	36%	0.356	48%	0.478	S	S	.	.	H	α-helix	trans	-65.9	-42.4	175.5	-77.2	171.5	0	0	0	112	V326 S343 L350 N351	V326-L347 HydrophobicContact CG1-CD2 3.86Å; V326-L347 HydrophobicContact CG1-CG 4.04Å; S343-L347 WeakPolarHBondContact O-CB 3.35Å; S343-L347 WeakPolarHBondContact O-CD1 3.33Å; S343-L347 WeakPolarHBondContact O-CG 3.26Å; S343-L347 PolarHBondContact O-N 3.42Å; L347-L350 PolarHBondContact O-N 3.41Å; L347-N351 WeakPolarHBondContact O-CB 3.22Å; L347-N351 VanDerWaalsContact O-CG 3.28Å; L347-N351 PolarHBondContact O-N 2.87Å; L347-N351 PolarHBondContact O-ND2 3.21Å
348	R	87.7	Confident	72.6	Confident	103 Å²	103	80.1 Å²	80.1	39%	0.389	45%	0.448	S	S	.	.	H	α-helix	trans	-65.1	-39.7	176.8	-174.6	174.2	171.6	-122.7	-17.7	111.7	S344 D345 N351 E352 W419	S344-R348 VanDerWaalsContact O-CB 3.24Å; S344-R348 WeakPolarHBondContact O-CB 3.22Å; S344-R348 PolarHBondContact O-N 2.98Å; D345-R348 PolarHBondContact O-N 2.92Å; R348-N351 PolarHBondContact O-N 2.88Å; R348-E352 WeakPolarHBondContact O-CB 3.27Å; R348-E352 PolarHBondContact O-N 3.34Å; R348-W419 HydrophobicContact CG-CH2 4.08Å; R348-W419 HydrophobicContact CG-CZ2 3.87Å; R348-W419 VanDerWaalsContact CZ-CE2 3.45Å; R348-W419 VanDerWaalsContact NH1-NE1 3.18Å; R348-W419 VanDerWaalsContact NH2-CE3 3.29Å
349	L	90.3	Very high	75.2	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-64.5	-45.2	172.8	-178.3	60.4	0	0	0	111.3	L324 D345 E346 N351 E352 L353 F395 L408 I417	L324-L349 HydrophobicContact CD2-CD2 4.08Å; L324-L349 HydrophobicContact CD2-CG 4.26Å; D345-L349 VanDerWaalsContact O-CB 3.27Å; D345-L349 WeakPolarHBondContact O-CB 3.42Å; D345-L349 PolarHBondContact O-N 2.61Å; E346-L349 PolarHBondContact O-N 2.88Å; L349-N351 VanDerWaalsContact C-N 3.28Å; L349-N351 PolarHBondContact O-N 3.46Å; L349-E352 WeakPolarHBondContact O-CB 3.25Å; L349-E352 PolarHBondContact O-N 2.99Å; L349-E352 VanDerWaalsContact O-N 3.12Å; L349-L353 HydrophobicContact CD1-CD1 4.26Å; L349-L353 HydrophobicContact CD1-CD2 4.46Å; L349-L353 HydrophobicContact CD1-CG 4.1Å; L349-L353 HydrophobicContact CG-CD1 3.91Å; L349-L353 HydrophobicContact CG-CG 4.21Å; L349-L353 WeakPolarHBondContact O-CB 3.2Å; L349-L353 VanDerWaalsContact O-CG 3.25Å; L349-L353 WeakPolarHBondContact O-CG 3.2Å; L349-L353 PolarHBondContact O-N 2.85Å; L349-F395 HydrophobicContact CD1-CD1 3.72Å; L349-F395 HydrophobicContact CD1-CD2 4.44Å; L349-F395 HydrophobicContact CD1-CE1 3.73Å; L349-F395 HydrophobicContact CD1-CE2 4.44Å; L349-F395 HydrophobicContact CD1-CG 4.1Å; L349-F395 HydrophobicContact CD1-CZ 4.1Å; L349-F395 HydrophobicContact CD2-CD1 4.5Å; L349-F395 HydrophobicContact CD2-CD2 3.81Å; L349-F395 HydrophobicContact CD2-CE2 4.04Å; L349-F395 HydrophobicContact CD2-CG 4.06Å; L349-F395 HydrophobicContact CD2-CZ 4.5Å; L349-L408 HydrophobicContact CD2-CD1 4.07Å; L349-I417 HydrophobicContact CB-CD1 3.86Å; L349-I417 HydrophobicContact CD2-CD1 4.01Å; L349-I417 HydrophobicContact CD2-CG1 4.32Å; L349-I417 HydrophobicContact CG-CD1 4.35Å
350	L	89.6	Confident	78.1	Confident	22 Å²	22	72.8 Å²	72.8	12%	0.115	40%	0.398	C	S	.	.	H	α-helix	trans	-60.9	-38.3	178.5	-171.6	68.3	0	0	0	112	A321 L324 V326 E346 L347 K354	A321-L350 WeakPolarHBondContact O-CD1 3.25Å; L324-L350 HydrophobicContact CD2-CB 4.47Å; L324-L350 HydrophobicContact CD2-CD1 4.28Å; V326-L350 HydrophobicContact CB-CD2 4.45Å; V326-L350 HydrophobicContact CG2-CB 4.24Å; V326-L350 HydrophobicContact CG2-CD1 4.46Å; V326-L350 HydrophobicContact CG2-CD2 3.93Å; V326-L350 HydrophobicContact CG2-CG 4.44Å; E346-L350 VanDerWaalsContact O-CB 3.31Å; E346-L350 WeakPolarHBondContact O-CB 3.26Å; E346-L350 PolarHBondContact O-N 3.4Å; L347-L350 PolarHBondContact O-N 3.41Å; L350-K354 HydrophobicContact CD1-CD 4.36Å; L350-K354 HydrophobicContact CG-CD 4.12Å; L350-K354 WeakPolarHBondContact O-CB 3.1Å; L350-K354 VanDerWaalsContact O-CG 3.24Å; L350-K354 WeakPolarHBondContact O-CG 3.3Å; L350-K354 PolarHBondContact O-N 3.42Å; L350-K354 VanDerWaalsContact O-N 3.09Å
351	N	88.5	Confident	81.1	Confident	112 Å²	112	70.8 Å²	70.8	60%	0.599	38%	0.377	S	S	*	.	H	α-helix	trans	-68.4	-38.8	174.1	-71	-21.7	0	0	0	112.1	L347 R348 L349 K354 S355	L347-N351 WeakPolarHBondContact O-CB 3.22Å; L347-N351 VanDerWaalsContact O-CG 3.28Å; L347-N351 PolarHBondContact O-N 2.87Å; L347-N351 PolarHBondContact O-ND2 3.21Å; R348-N351 PolarHBondContact O-N 2.88Å; L349-N351 VanDerWaalsContact C-N 3.28Å; L349-N351 PolarHBondContact O-N 3.46Å; N351-K354 PolarHBondContact O-N 3.16Å; N351-S355 PolarHBondContact O-N 2.89Å
352	E	89.2	Confident	83.4	Confident	51 Å²	51	63.6 Å²	63.6	24%	0.238	34%	0.339	C	S	.	.	H	α-helix	trans	-64.1	-47.1	173.8	-169.6	68.4	-156.1	0	0	111.1	R348 L349 K354 S355 A358 L390 S392 W419	R348-E352 WeakPolarHBondContact O-CB 3.27Å; R348-E352 PolarHBondContact O-N 3.34Å; L349-E352 WeakPolarHBondContact O-CB 3.25Å; L349-E352 PolarHBondContact O-N 2.99Å; L349-E352 VanDerWaalsContact O-N 3.12Å; E352-K354 PolarHBondContact O-N 3.11Å; E352-S355 VanDerWaalsContact O-CB 3.22Å; E352-S355 WeakPolarHBondContact O-CB 3.25Å; E352-S355 PolarHBondContact O-N 3.35Å; E352-S355 VanDerWaalsContact O-N 3.08Å; E352-A358 WeakPolarHBondContact O-CB 3.49Å; E352-L390 HydrophobicContact CG-CD1 3.95Å; E352-S392 VanDerWaalsContact CD-OG 3.26Å; E352-S392 WeakPolarHBondContact CG-OG 3.38Å; E352-S392 WeakPolarHBondContact OE1-CB 3.47Å; E352-S392 PolarHBondContact OE1-OG 3.09Å; E352-W419 HydrophobicContact CB-CH2 3.99Å; E352-W419 HydrophobicContact CB-CZ3 4.47Å; E352-W419 HydrophobicContact CG-CH2 4.02Å; E352-W419 HydrophobicContact CG-CZ3 4.01Å
353	L	90.9	Very high	85.9	Confident	8 Å²	8	60.3 Å²	60.3	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-64.4	-25.2	178.1	-65.4	172.1	0	0	0	113.4	L317 A321 L324 L349 L390 F395	L317-L353 HydrophobicContact CD1-CD2 3.49Å; L317-L353 VanDerWaalsContact CD1-CD2 3.49Å; A321-L353 HydrophobicContact CB-CB 3.88Å; L324-L353 HydrophobicContact CD2-CD1 3.96Å; L349-L353 HydrophobicContact CD1-CD1 4.26Å; L349-L353 HydrophobicContact CD1-CD2 4.46Å; L349-L353 HydrophobicContact CD1-CG 4.1Å; L349-L353 HydrophobicContact CG-CD1 3.91Å; L349-L353 HydrophobicContact CG-CG 4.21Å; L349-L353 WeakPolarHBondContact O-CB 3.2Å; L349-L353 VanDerWaalsContact O-CG 3.25Å; L349-L353 WeakPolarHBondContact O-CG 3.2Å; L349-L353 PolarHBondContact O-N 2.85Å; L353-L390 HydrophobicContact CD2-CD1 3.86Å; L353-L390 HydrophobicContact CD2-CD2 4.28Å; L353-F395 HydrophobicContact CD1-CZ 4.34Å; L353-F395 HydrophobicContact CD2-CE1 4.03Å; L353-F395 HydrophobicContact CD2-CZ 3.68Å
354	K	88.9	Confident	87.6	Confident	128 Å²	128	58.7 Å²	58.7	56%	0.557	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-2.1	176.1	-69.6	173.4	-178.9	172.4	0	113.4	A321 L350 N351 E352	A321-K354 HydrophobicContact CB-CG 4.17Å; L350-K354 HydrophobicContact CD1-CD 4.36Å; L350-K354 HydrophobicContact CG-CD 4.12Å; L350-K354 WeakPolarHBondContact O-CB 3.1Å; L350-K354 VanDerWaalsContact O-CG 3.24Å; L350-K354 WeakPolarHBondContact O-CG 3.3Å; L350-K354 PolarHBondContact O-N 3.42Å; L350-K354 VanDerWaalsContact O-N 3.09Å; N351-K354 PolarHBondContact O-N 3.16Å; E352-K354 PolarHBondContact O-N 3.11Å
355	S	88	Confident	88.7	Confident	40 Å²	40	62.9 Å²	62.9	28%	0.28	32%	0.317	S	S	.	.			trans	-67.2	136.9	179.2	177.9	0	0	0	0	110.8	N351 E352 N357 A358	N351-S355 PolarHBondContact O-N 2.89Å; E352-S355 VanDerWaalsContact O-CB 3.22Å; E352-S355 WeakPolarHBondContact O-CB 3.25Å; E352-S355 PolarHBondContact O-N 3.35Å; E352-S355 VanDerWaalsContact O-N 3.08Å; S355-N357 PolarHBondContact O-N 3.35Å; S355-N357 VanDerWaalsContact O-N 3.12Å; S355-N357 PolarHBondContact OG-N 3.47Å; S355-A358 WeakPolarHBondContact O-CB 3.34Å; S355-A358 PolarHBondContact O-N 3.01Å
356	P	83.4	Confident	89.6	Confident	127 Å²	127	60 Å²	60	83%	0.825	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.9	177.2	28.2	-36.1	0	0	0	113.2
357	N	82.6	Confident	90	Very high	145 Å²	145	63.7 Å²	63.7	78%	0.775	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	2.8	177.3	-62.6	-21.6	0	0	0	112.9	S355 K359	S355-N357 PolarHBondContact O-N 3.35Å; S355-N357 VanDerWaalsContact O-N 3.12Å; S355-N357 PolarHBondContact OG-N 3.47Å; N357-K359 PolarHBondContact O-N 3.06Å
358	A	87.6	Confident	90.4	Very high	19 Å²	19	60.5 Å²	60.5	16%	0.157	30%	0.298	C	S	.	.			trans	-72.6	111.5	-177.6	0	0	0	0	0	110.8	L317 E352 S355	L317-A358 HydrophobicContact CD2-CB 3.79Å; L317-A358 WeakPolarHBondContact CD2-O 3.45Å; E352-A358 WeakPolarHBondContact O-CB 3.49Å; S355-A358 WeakPolarHBondContact O-CB 3.34Å; S355-A358 PolarHBondContact O-N 3.01Å
359	K	90.2	Very high	90.4	Very high	102 Å²	102	55.9 Å²	55.9	44%	0.443	28%	0.281	S	S	.	.			trans	-111.3	116.5	173.8	-168.7	154.3	-176.6	159.2	0	110.3	E310 N357 L390 K391	E310-K359 WeakPolarHBondContact OE1-CE 3.4Å; E310-K359 IonicContact OE1-NZ 2.92Å; E310-K359 PolarHBondContact OE1-NZ 2.98Å; E310-K359 IonicContact OE2-NZ 3.46Å; E310-K359 PolarHBondContact OE2-NZ 2.92Å; N357-K359 PolarHBondContact O-N 3.06Å; K359-L390 WeakPolarHBondContact O-CA 3.5Å; K359-K391 PolarHBondContact O-N 3.22Å
360	L	93.7	Very high	90	Very high	6 Å²	6	57 Å²	57	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.7	168.4	179.7	66.2	0	0	0	108.5	Y313 K316 L317 N362 H363 V388 L390	Y313-L360 HydrophobicContact CD1-CD2 4.27Å; Y313-L360 HydrophobicContact CD2-CG 4.45Å; Y313-L360 WeakPolarHBondContact CD2-O 3.29Å; Y313-L360 HydrophobicContact CG-CD2 4.1Å; Y313-L360 HydrophobicContact CG-CG 4.29Å; Y313-L360 WeakPolarHBondContact O-CD2 3.11Å; K316-L360 HydrophobicContact CB-CD2 4.02Å; L317-L360 HydrophobicContact CB-CB 4.29Å; L317-L360 HydrophobicContact CB-CD2 4.46Å; L317-L360 HydrophobicContact CD1-CB 4.44Å; L317-L360 HydrophobicContact CD2-CB 4.47Å; L360-N362 WeakPolarHBondContact CD1-O 3.32Å; L360-H363 HydrophobicContact CD1-CB 4.4Å; L360-V388 HydrophobicContact CD1-CG1 3.47Å; L360-V388 VanDerWaalsContact CD1-CG1 3.47Å; L360-L390 HydrophobicContact CB-CD2 4.31Å; L360-L390 HydrophobicContact CD1-CD2 3.96Å
361	I	92.9	Very high	89.1	Confident	73 Å²	73	57.3 Å²	57.3	37%	0.374	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-39.5	179	-64.9	180	0	0	0	110.3	Y313 A389 K391 I465	Y313-I361 WeakPolarHBondContact CE2-O 3.33Å; I361-A389 PolarHBondContact N-O 3.02Å; I361-K391 HydrophobicContact CD1-CB 4.24Å; I361-I465 HydrophobicContact CG2-CG1 4.08Å
362	N	94.7	Very high	87.7	Confident	8 Å²	8	56 Å²	56	4%	0.043	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	152	179.3	-176.9	68.8	0	0	0	109.8	L360 A389 W462 I465	L360-N362 WeakPolarHBondContact CD1-O 3.32Å; N362-A389 PolarHBondContact N-O 2.99Å; N362-A389 PolarHBondContact O-N 2.85Å; N362-W462 WeakPolarHBondContact ND2-CH2 3.32Å; N362-W462 WeakPolarHBondContact ND2-CZ2 3.14Å; N362-I465 HydrophobicContact CB-CD1 3.31Å; N362-I465 HydrophobicContact CB-CG1 4.41Å
363	H	94.6	Very high	86	Confident	45 Å²	45	56.3 Å²	56.3	21%	0.208	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	160.8	161.3	74.1	93.4	0	0	0	109.9	F320 L360 E386 G387 V388	F320-H363 HydrophobicContact CE2-CB 4.02Å; F320-H363 HydrophobicContact CZ-CB 4.17Å; L360-H363 HydrophobicContact CD1-CB 4.4Å; H363-E386 IonicContact CE1-OE1 3.38Å; H363-E386 IonicContact CG-OE1 3.31Å; H363-E386 IonicContact ND1-OE1 2.69Å; H363-E386 PolarHBondContact ND1-OE1 3.14Å; H363-G387 CarbonylContact C-O 3.43Å; H363-G387 VanDerWaalsContact CA-O 3.23Å; H363-G387 WeakPolarHBondContact CA-O 3.05Å; H363-V388 HydrophobicContact CB-CG2 4.4Å
364	G	93.4	Very high	84	Confident	17 Å²	17	60 Å²	60	18%	0.175	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.2	163.9	170.3	0	0	0	0	0	113.7	E386 G387	G364-E386 VanDerWaalsContact CA-OE1 3.27Å; G364-E386 WeakPolarHBondContact CA-OE1 3.3Å; G364-E386 PolarHBondContact N-OE1 3.27Å; G364-G387 PolarHBondContact N-O 2.81Å; G364-G387 PolarHBondContact O-N 2.96Å
365	R	93.9	Very high	81.9	Confident	161 Å²	161	56.7 Å²	56.7	61%	0.608	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	134	178.3	-63	176.8	-176.9	-141.1	8.4	111.4	E384 V385 E386	R365-E384 WeakPolarHBondContact CD-OE1 3.35Å; R365-E384 IonicContact CZ-OE1 3.27Å; R365-E384 IonicContact NE-OE1 3.18Å; R365-E384 IonicContact NH1-OE1 3.52Å; R365-E384 PolarHBondContact NH1-OE1 3.48Å; R365-V385 CarbonylContact C-O 3.59Å; R365-V385 WeakPolarHBondContact CA-O 3.45Å; R365-E386 WeakPolarHBondContact CG-OE2 3.34Å; R365-E386 PolarHBondContact N-OE2 3.02Å
366	L	93.8	Very high	80.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.8	172.1	-69.8	174.7	0	0	0	108.8	V385 F438 F451 W462	L366-V385 HydrophobicContact CB-CG2 4.15Å; L366-V385 PolarHBondContact N-O 3.33Å; L366-V385 WeakPolarHBondContact O-CG2 3.28Å; L366-V385 PolarHBondContact O-N 3.48Å; L366-V385 VanDerWaalsContact O-O 3.13Å; L366-F438 HydrophobicContact CD1-CZ 4.14Å; L366-F438 HydrophobicContact CD2-CE1 3.92Å; L366-F438 HydrophobicContact CD2-CZ 4.25Å; L366-F451 HydrophobicContact CB-CD1 4.44Å; L366-F451 HydrophobicContact CD1-CD1 4.23Å; L366-W462 HydrophobicContact CD1-CZ2 4.1Å; L366-W462 HydrophobicContact CG-CZ2 4.46Å
367	Y	92.5	Very high	78.6	Confident	103 Å²	103	58.6 Å²	58.6	40%	0.404	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	105.9	167.7	-66.9	-92.3	0	0	0	109.1	N369 Y383 E384 F451 R452	Y367-N369 PolarHBondContact O-ND2 3.37Å; Y367-Y383 CarbonylContact C-O 3.42Å; Y367-Y383 WeakPolarHBondContact CA-O 3.49Å; Y367-E384 HydrophobicContact CD1-CB 4.21Å; Y367-E384 HydrophobicContact CE1-CB 3.9Å; Y367-E384 HydrophobicContact CE1-CG 4.13Å; Y367-F451 CarbonylContact O-C 3.58Å; Y367-F451 WeakPolarHBondContact O-CA 3.47Å; Y367-R452 PolarHBondContact N-O 2.73Å; Y367-R452 PolarHBondContact O-N 3.06Å
368	A	91.3	Very high	77.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.7	177.6	0	0	0	0	0	110.2	Y383 V385 F409 T449 F451	A368-Y383 PolarHBondContact N-O 3.48Å; A368-Y383 PolarHBondContact O-N 3.31Å; A368-V385 HydrophobicContact CB-CG2 4.21Å; A368-F409 HydrophobicContact CB-CE1 4.29Å; A368-T449 HydrophobicContact CB-CG2 4.09Å; A368-F451 HydrophobicContact CB-CD1 4.05Å; A368-F451 HydrophobicContact CB-CE1 3.87Å
369	N	88.2	Confident	76	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.032	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	103.1	178.2	-40.4	-98.5	0	0	0	107.3	Y367 S382 L450 R452	Y367-N369 PolarHBondContact O-ND2 3.37Å; N369-S382 VanDerWaalsContact OD1-CB 3.25Å; N369-S382 WeakPolarHBondContact OD1-CB 3.45Å; N369-S382 PolarHBondContact OD1-OG 2.8Å; N369-L450 HydrophobicContact CB-CB 4.28Å; N369-L450 PolarHBondContact N-O 2.81Å; N369-L450 PolarHBondContact ND2-O 3.47Å; N369-L450 PolarHBondContact O-N 2.74Å; N369-R452 PolarHBondContact OD1-NH1 2.91Å
370	P	81.3	Confident	74.6	Confident	25 Å²	25	57 Å²	57	16%	0.162	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	136.8	173.6	22.9	-30.5	0	0	0	110.8	S379 Y383 T412	P370-S379 WeakPolarHBondContact O-CB 3.45Å; P370-S379 PolarHBondContact O-N 3.26Å; P370-Y383 HydrophobicContact CG-CE2 4.17Å; P370-T412 HydrophobicContact CB-CG2 4.18Å
371	L	70.9	Confident	73.8	Confident	28 Å²	28	59 Å²	59	15%	0.147	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-88.8	134.3	164.2	-78	162.1	0	0	0	108.7	S373 Q378 Y439 L448	L371-S373 PolarHBondContact O-N 2.75Å; L371-Q378 HydrophobicContact CD2-CG 3.99Å; L371-Y439 HydrophobicContact CD1-CD1 4.16Å; L371-Y439 HydrophobicContact CD1-CE1 3.6Å; L371-L448 HydrophobicContact CB-CB 4.19Å; L371-L448 WeakPolarHBondContact CB-O 3.47Å; L371-L448 HydrophobicContact CD1-CB 3.67Å; L371-L448 HydrophobicContact CD1-CD1 4.17Å; L371-L448 PolarHBondContact N-O 3.37Å
372	V	59.2	Low	73.4	Confident	84 Å²	84	58.5 Å²	58.5	51%	0.509	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-78	117.3	177.6	-178.5	0	0	0	0	109	G374 C375	V372-G374 PolarHBondContact O-N 3.03Å; V372-C375 PolarHBondContact O-N 3.08Å; V372-C375 VanDerWaalsContact O-N 3.09Å
373	S	53.4	Low	73.2	Confident	57 Å²	57	61.6 Å²	61.6	40%	0.399	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	122.2	176.3	-67.8	0	0	0	0	111.4	L371	L371-S373 PolarHBondContact O-N 2.75Å
374	G	49.7	Very low	73.1	Confident	85 Å²	85	63.6 Å²	63.6	88%	0.876	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.5	-10.8	-179.5	0	0	0	0	0	116.1	V372	V372-G374 PolarHBondContact O-N 3.03Å
375	C	43.6	Very low	73.1	Confident	59 Å²	59	63 Å²	63	40%	0.399	38%	0.378	S	S	.	.			trans	-135.2	132.4	174.3	-155.7	0	0	0	0	112.5	V372 L377	V372-C375 PolarHBondContact O-N 3.08Å; V372-C375 VanDerWaalsContact O-N 3.09Å; C375-L377 PolarHBondContact O-N 3.29Å
376	G	51.3	Low	73.1	Confident	84 Å²	84	56.6 Å²	56.6	87%	0.866	36%	0.356	S	S	*	.	S	Bend	trans	-71.4	20	178.4	0	0	0	0	0	115.3
377	L	52.2	Low	73.1	Confident	123 Å²	123	56.6 Å²	56.6	64%	0.644	36%	0.356	S	S	*	.	S	Bend	trans	-96.4	130.6	176.4	-68	171.9	0	0	0	109.1	C375	C375-L377 PolarHBondContact O-N 3.29Å
378	Q	56.2	Low	73.3	Confident	75 Å²	75	51.7 Å²	51.7	35%	0.35	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-64.2	139.1	170.1	-66.3	170.5	26.4	0	0	109.1	L371 E432 L450	L371-Q378 HydrophobicContact CD2-CG 3.99Å; Q378-E432 PolarHBondContact NE2-OE1 3.44Å; Q378-L450 HydrophobicContact CG-CD2 4.47Å
379	S	59.2	Low	73.5	Confident	31 Å²	31	51.7 Å²	51.7	22%	0.217	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-58	142.5	166.6	-175.7	0	0	0	0	109.4	P370 T381	P370-S379 WeakPolarHBondContact O-CB 3.45Å; P370-S379 PolarHBondContact O-N 3.26Å; S379-T381 WeakPolarHBondContact CB-OG1 3.17Å; S379-T381 PolarHBondContact O-N 3.18Å; S379-T381 PolarHBondContact OG-N 3.16Å; S379-T381 PolarHBondContact OG-OG1 3.2Å
380	S	61.5	Low	73.8	Confident	126 Å²	126	51.4 Å²	51.4	88%	0.881	34%	0.335	S	S	*	.	S	Bend	trans	-66.9	-13.9	170.8	51.9	0	0	0	0	112.7	S382	S380-S382 PolarHBondContact O-N 2.95Å
381	T	75.2	Confident	74.3	Confident	49 Å²	49	56.3 Å²	56.3	30%	0.301	35%	0.353	S	S	.	.			trans	-80.4	109.9	175.3	62.7	0	0	0	0	111.2	S379	S379-T381 WeakPolarHBondContact CB-OG1 3.17Å; S379-T381 PolarHBondContact O-N 3.18Å; S379-T381 PolarHBondContact OG-N 3.16Å; S379-T381 PolarHBondContact OG-OG1 3.2Å
382	S	84.8	Confident	75.2	Confident	62 Å²	62	56.7 Å²	56.7	43%	0.434	36%	0.358	S	S	.	.			trans	-105.6	126.7	167.1	-160.8	0	0	0	0	109.4	N369 S380	N369-S382 VanDerWaalsContact OD1-CB 3.25Å; N369-S382 WeakPolarHBondContact OD1-CB 3.45Å; N369-S382 PolarHBondContact OD1-OG 2.8Å; S380-S382 PolarHBondContact O-N 2.95Å
383	Y	90.2	Very high	76.9	Confident	74 Å²	74	52.7 Å²	52.7	29%	0.29	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.7	-179.5	-57.6	-78.6	0	0	0	110.3	Y367 A368 P370 V385 F409	Y367-Y383 CarbonylContact C-O 3.42Å; Y367-Y383 WeakPolarHBondContact CA-O 3.49Å; A368-Y383 PolarHBondContact N-O 3.48Å; A368-Y383 PolarHBondContact O-N 3.31Å; P370-Y383 HydrophobicContact CG-CE2 4.17Å; Y383-V385 PolarHBondContact O-N 2.86Å; Y383-F409 HydrophobicContact CD1-CE2 4.08Å; Y383-F409 HydrophobicContact CD1-CZ 4.49Å; Y383-F409 HydrophobicContact CD2-CE2 4.17Å; Y383-F409 AromaticContact CD2-CZ 3.76Å; Y383-F409 HydrophobicContact CD2-CZ 3.76Å; Y383-F409 HydrophobicContact CE2-CZ 4.48Å; Y383-F409 AromaticContact CG-CE2 3.74Å; Y383-F409 HydrophobicContact CG-CE2 3.74Å; Y383-F409 AromaticContact CG-CZ 3.76Å; Y383-F409 HydrophobicContact CG-CZ 3.76Å
384	E	92.5	Very high	78.8	Confident	87 Å²	87	50 Å²	50	41%	0.407	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.1	167	-172.5	178.1	-161.1	0	0	109	R365 Y367	R365-E384 WeakPolarHBondContact CD-OE1 3.35Å; R365-E384 IonicContact CZ-OE1 3.27Å; R365-E384 IonicContact NE-OE1 3.18Å; R365-E384 IonicContact NH1-OE1 3.52Å; R365-E384 PolarHBondContact NH1-OE1 3.48Å; Y367-E384 HydrophobicContact CD1-CB 4.21Å; Y367-E384 HydrophobicContact CE1-CB 3.9Å; Y367-E384 HydrophobicContact CE1-CG 4.13Å
385	V	93.3	Very high	81	Confident	3 Å²	3	46 Å²	46	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.3	178.9	-61.9	0	0	0	0	110.1	R365 L366 A368 Y383 M396 L397 F409	R365-V385 CarbonylContact C-O 3.59Å; R365-V385 WeakPolarHBondContact CA-O 3.45Å; L366-V385 HydrophobicContact CB-CG2 4.15Å; L366-V385 PolarHBondContact N-O 3.33Å; L366-V385 WeakPolarHBondContact O-CG2 3.28Å; L366-V385 PolarHBondContact O-N 3.48Å; L366-V385 VanDerWaalsContact O-O 3.13Å; A368-V385 HydrophobicContact CB-CG2 4.21Å; Y383-V385 PolarHBondContact O-N 2.86Å; V385-M396 HydrophobicContact CB-CB 4.47Å; V385-M396 HydrophobicContact CG2-CB 4.44Å; V385-M396 HydrophobicContact CG2-CG 4.42Å; V385-M396 HydrophobicContact CG2-SD 4.45Å; V385-L397 CarbonylContact C-O 3.59Å; V385-L397 WeakPolarHBondContact CA-O 3.12Å; V385-F409 HydrophobicContact CG1-CB 4.12Å; V385-F409 HydrophobicContact CG1-CD1 3.91Å; V385-F409 HydrophobicContact CG1-CD2 3.64Å; V385-F409 HydrophobicContact CG1-CE1 4.2Å; V385-F409 HydrophobicContact CG1-CE2 3.94Å; V385-F409 HydrophobicContact CG1-CG 3.61Å; V385-F409 HydrophobicContact CG1-CZ 4.21Å
386	E	94.4	Very high	83.4	Confident	28 Å²	28	43.1 Å²	43.1	13%	0.131	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	109.5	167.1	-167.4	75.1	-170.8	0	0	107.6	F320 H363 G364 R365 V388 L397	F320-E386 HydrophobicContact CE1-CG 4.07Å; F320-E386 HydrophobicContact CZ-CG 3.93Å; H363-E386 IonicContact CE1-OE1 3.38Å; H363-E386 IonicContact CG-OE1 3.31Å; H363-E386 IonicContact ND1-OE1 2.69Å; H363-E386 PolarHBondContact ND1-OE1 3.14Å; G364-E386 VanDerWaalsContact CA-OE1 3.27Å; G364-E386 WeakPolarHBondContact CA-OE1 3.3Å; G364-E386 PolarHBondContact N-OE1 3.27Å; R365-E386 WeakPolarHBondContact CG-OE2 3.34Å; R365-E386 PolarHBondContact N-OE2 3.02Å; E386-V388 HydrophobicContact CG-CG2 4.26Å; E386-L397 HydrophobicContact CB-CB 4.43Å; E386-L397 PolarHBondContact N-O 2.99Å; E386-L397 PolarHBondContact O-N 3.49Å
387	G	94.8	Very high	85.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.5	171	0	0	0	0	0	109.8	H363 G364 W462	H363-G387 CarbonylContact C-O 3.43Å; H363-G387 VanDerWaalsContact CA-O 3.23Å; H363-G387 WeakPolarHBondContact CA-O 3.05Å; G364-G387 PolarHBondContact N-O 2.81Å; G364-G387 PolarHBondContact O-N 2.96Å; G387-W462 WeakPolarHBondContact O-CH2 3.47Å
388	V	96.1	Very high	87.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	126.9	-176.1	-170.8	0	0	0	0	109.4	F320 L360 H363 E386 F394 F395 L397	F320-V388 HydrophobicContact CD2-CG1 4.14Å; F320-V388 HydrophobicContact CD2-CG2 4.35Å; F320-V388 HydrophobicContact CE1-CG2 4.42Å; F320-V388 HydrophobicContact CE2-CG1 4.05Å; F320-V388 HydrophobicContact CE2-CG2 3.94Å; F320-V388 HydrophobicContact CZ-CG2 3.98Å; L360-V388 HydrophobicContact CD1-CG1 3.47Å; L360-V388 VanDerWaalsContact CD1-CG1 3.47Å; H363-V388 HydrophobicContact CB-CG2 4.4Å; E386-V388 HydrophobicContact CG-CG2 4.26Å; V388-F394 WeakPolarHBondContact O-CA 3.47Å; V388-F394 WeakPolarHBondContact O-CD2 3.36Å; V388-F395 HydrophobicContact CB-CD1 4.35Å; V388-F395 HydrophobicContact CB-CD2 4.24Å; V388-F395 HydrophobicContact CB-CE1 3.86Å; V388-F395 HydrophobicContact CB-CE2 3.74Å; V388-F395 HydrophobicContact CB-CZ 3.52Å; V388-F395 HydrophobicContact CG1-CE1 3.75Å; V388-F395 HydrophobicContact CG1-CE2 4.12Å; V388-F395 HydrophobicContact CG1-CZ 3.42Å; V388-F395 VanDerWaalsContact CG1-CZ 3.42Å; V388-F395 HydrophobicContact CG2-CE2 3.99Å; V388-F395 HydrophobicContact CG2-CZ 4.15Å; V388-F395 PolarHBondContact N-O 3.02Å; V388-F395 PolarHBondContact O-N 3.15Å; V388-L397 HydrophobicContact CG2-CD1 4.26Å; V388-L397 HydrophobicContact CG2-CG 4.4Å
389	A	95.6	Very high	88.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120	-179.7	0	0	0	0	0	111.9	I361 N362 F394 W462 I465	I361-A389 PolarHBondContact N-O 3.02Å; N362-A389 PolarHBondContact N-O 2.99Å; N362-A389 PolarHBondContact O-N 2.85Å; A389-F394 HydrophobicContact CB-CD2 4.33Å; A389-W462 HydrophobicContact CB-CZ3 4.01Å; A389-I465 HydrophobicContact CB-CG2 3.54Å
390	L	95	Very high	90.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	169.3	169.8	-47.4	-178.7	0	0	0	110.1	L317 E352 L353 K359 L360 S392 C393 F395 W420	L317-L390 HydrophobicContact CD1-CD2 3.63Å; E352-L390 HydrophobicContact CG-CD1 3.95Å; L353-L390 HydrophobicContact CD2-CD1 3.86Å; L353-L390 HydrophobicContact CD2-CD2 4.28Å; K359-L390 WeakPolarHBondContact O-CA 3.5Å; L360-L390 HydrophobicContact CB-CD2 4.31Å; L360-L390 HydrophobicContact CD1-CD2 3.96Å; L390-S392 PolarHBondContact O-N 3.38Å; L390-C393 PolarHBondContact N-O 2.86Å; L390-F395 HydrophobicContact CD1-CE1 4.14Å; L390-F395 HydrophobicContact CD2-CE1 4.49Å; L390-F395 HydrophobicContact CG-CE1 4.05Å; L390-W420 PolarHBondContact O-NE1 3.49Å
391	K	91.2	Very high	91.4	Very high	127 Å²	127	36.3 Å²	36.3	55%	0.552	19%	0.188	S	C	*	.	S	Bend	trans	-59	-21.6	168.6	-169.6	173.5	179	178.9	0	113.7	K359 I361 Q472	K359-K391 PolarHBondContact O-N 3.22Å; I361-K391 HydrophobicContact CD1-CB 4.24Å; K391-Q472 PolarHBondContact O-OE1 2.91Å
392	S	90.3	Very high	91.6	Very high	36 Å²	36	42.7 Å²	42.7	25%	0.252	22%	0.22	S	C	.	.	S	Bend	trans	-106	-27.6	-175.7	46	0	0	0	0	115.1	E352 L390 W420	E352-S392 VanDerWaalsContact CD-OG 3.26Å; E352-S392 WeakPolarHBondContact CG-OG 3.38Å; E352-S392 WeakPolarHBondContact OE1-CB 3.47Å; E352-S392 PolarHBondContact OE1-OG 3.09Å; L390-S392 PolarHBondContact O-N 3.38Å; S392-W420 PolarHBondContact O-N 3.46Å; S392-W420 VanDerWaalsContact O-N 3.12Å
393	C	93.4	Very high	91.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	157.1	178.8	61.9	0	0	0	0	113.8	L390 I417 L418 W419	L390-C393 PolarHBondContact N-O 2.86Å; C393-I417 HydrophobicContact CB-CG2 3.79Å; C393-L418 CarbonylContact C-O 3.47Å; C393-L418 WeakPolarHBondContact CA-O 3.48Å; C393-L418 WeakPolarHBondContact CB-O 3.32Å; C393-W419 HydrophobicContact CB-CD2 3.98Å; C393-W419 HydrophobicContact CB-CE3 3.77Å; C393-W419 HydrophobicContact CB-CG 4.4Å; C393-W419 HydrophobicContact CB-CZ3 4.21Å
394	F	94.9	Very high	91.2	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	146.3	157.9	166.4	-92.2	0	0	0	110.8	V388 A389 M396 M414 I417 L418 W420 W462 F466	V388-F394 WeakPolarHBondContact O-CA 3.47Å; V388-F394 WeakPolarHBondContact O-CD2 3.36Å; A389-F394 HydrophobicContact CB-CD2 4.33Å; F394-M396 HydrophobicContact CE1-CG 3.73Å; F394-M396 HydrophobicContact CE1-SD 4.34Å; F394-M396 HydrophobicContact CZ-CG 3.64Å; F394-M396 HydrophobicContact CZ-SD 4.47Å; F394-M414 HydrophobicContact CE1-CE 4.02Å; F394-I417 CarbonylContact O-C 3.52Å; F394-I417 WeakPolarHBondContact O-CA 3.15Å; F394-L418 HydrophobicContact CB-CB 4.43Å; F394-L418 HydrophobicContact CD1-CB 4.47Å; F394-L418 HydrophobicContact CD1-CD1 4.06Å; F394-L418 HydrophobicContact CD1-CG 4.29Å; F394-L418 PolarHBondContact N-O 3.39Å; F394-L418 PolarHBondContact O-N 3.41Å; F394-W420 HydrophobicContact CB-CH2 3.41Å; F394-W420 VanDerWaalsContact CB-CH2 3.41Å; F394-W420 HydrophobicContact CB-CZ2 3.5Å; F394-W420 HydrophobicContact CB-CZ3 4.19Å; F394-W420 HydrophobicContact CG-CH2 4.42Å; F394-W462 HydrophobicContact CD2-CH2 4.22Å; F394-W462 AromaticContact CD2-CZ3 3.73Å; F394-W462 HydrophobicContact CD2-CZ3 3.73Å; F394-W462 HydrophobicContact CE2-CE3 4.38Å; F394-W462 AromaticContact CE2-CH2 3.8Å; F394-W462 HydrophobicContact CE2-CH2 3.8Å; F394-W462 AromaticContact CE2-CZ3 3.59Å; F394-W462 HydrophobicContact CE2-CZ3 3.59Å; F394-F466 HydrophobicContact CB-CE1 4.35Å; F394-F466 AromaticContact CD1-CE1 3.93Å; F394-F466 HydrophobicContact CD1-CE1 3.93Å; F394-F466 AromaticContact CD1-CZ 3.81Å; F394-F466 HydrophobicContact CD1-CZ 3.81Å; F394-F466 HydrophobicContact CD2-CE1 4.43Å; F394-F466 AromaticContact CD2-CZ 3.9Å; F394-F466 HydrophobicContact CD2-CZ 3.9Å; F394-F466 HydrophobicContact CE1-CE1 4.34Å; F394-F466 AromaticContact CE1-CZ 3.82Å; F394-F466 HydrophobicContact CE1-CZ 3.82Å; F394-F466 HydrophobicContact CE2-CE2 4.48Å; F394-F466 AromaticContact CE2-CZ 3.89Å; F394-F466 HydrophobicContact CE2-CZ 3.89Å; F394-F466 AromaticContact CG-CE1 3.98Å; F394-F466 HydrophobicContact CG-CE1 3.98Å; F394-F466 AromaticContact CG-CZ 3.85Å; F394-F466 HydrophobicContact CG-CZ 3.85Å; F394-F466 AromaticContact CZ-CZ 3.85Å; F394-F466 HydrophobicContact CZ-CZ 3.85Å
395	F	94.4	Very high	91.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	168.2	172.2	61	-82.5	0	0	0	111.1	L349 L353 V388 L390 L397 L408 P416 I417	L349-F395 HydrophobicContact CD1-CD1 3.72Å; L349-F395 HydrophobicContact CD1-CD2 4.44Å; L349-F395 HydrophobicContact CD1-CE1 3.73Å; L349-F395 HydrophobicContact CD1-CE2 4.44Å; L349-F395 HydrophobicContact CD1-CG 4.1Å; L349-F395 HydrophobicContact CD1-CZ 4.1Å; L349-F395 HydrophobicContact CD2-CD1 4.5Å; L349-F395 HydrophobicContact CD2-CD2 3.81Å; L349-F395 HydrophobicContact CD2-CE2 4.04Å; L349-F395 HydrophobicContact CD2-CG 4.06Å; L349-F395 HydrophobicContact CD2-CZ 4.5Å; L353-F395 HydrophobicContact CD1-CZ 4.34Å; L353-F395 HydrophobicContact CD2-CE1 4.03Å; L353-F395 HydrophobicContact CD2-CZ 3.68Å; V388-F395 HydrophobicContact CB-CD1 4.35Å; V388-F395 HydrophobicContact CB-CD2 4.24Å; V388-F395 HydrophobicContact CB-CE1 3.86Å; V388-F395 HydrophobicContact CB-CE2 3.74Å; V388-F395 HydrophobicContact CB-CZ 3.52Å; V388-F395 HydrophobicContact CG1-CE1 3.75Å; V388-F395 HydrophobicContact CG1-CE2 4.12Å; V388-F395 HydrophobicContact CG1-CZ 3.42Å; V388-F395 VanDerWaalsContact CG1-CZ 3.42Å; V388-F395 HydrophobicContact CG2-CE2 3.99Å; V388-F395 HydrophobicContact CG2-CZ 4.15Å; V388-F395 PolarHBondContact N-O 3.02Å; V388-F395 PolarHBondContact O-N 3.15Å; L390-F395 HydrophobicContact CD1-CE1 4.14Å; L390-F395 HydrophobicContact CD2-CE1 4.49Å; L390-F395 HydrophobicContact CG-CE1 4.05Å; F395-L397 HydrophobicContact CD2-CD2 3.87Å; F395-L397 HydrophobicContact CD2-CG 3.96Å; F395-L397 HydrophobicContact CE2-CD1 3.94Å; F395-L397 HydrophobicContact CE2-CD2 3.78Å; F395-L397 HydrophobicContact CE2-CG 3.68Å; F395-L408 HydrophobicContact CB-CD1 4.28Å; F395-L408 HydrophobicContact CD2-CD1 4.49Å; F395-P416 WeakPolarHBondContact CA-O 3.22Å; F395-P416 WeakPolarHBondContact CB-O 3.29Å; F395-I417 HydrophobicContact CB-CB 4.34Å; F395-I417 HydrophobicContact CB-CG1 4Å; F395-I417 HydrophobicContact CB-CG2 4.29Å
396	M	93.9	Very high	91	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.7	-179.7	-63.3	170.4	-69.7	0	0	110.5	V385 F394 F409 M414 F451	V385-M396 HydrophobicContact CB-CB 4.47Å; V385-M396 HydrophobicContact CG2-CB 4.44Å; V385-M396 HydrophobicContact CG2-CG 4.42Å; V385-M396 HydrophobicContact CG2-SD 4.45Å; F394-M396 HydrophobicContact CE1-CG 3.73Å; F394-M396 HydrophobicContact CE1-SD 4.34Å; F394-M396 HydrophobicContact CZ-CG 3.64Å; F394-M396 HydrophobicContact CZ-SD 4.47Å; M396-F409 HydrophobicContact CB-CB 3.91Å; M396-F409 HydrophobicContact CB-CD1 4.18Å; M396-F409 HydrophobicContact CB-CG 4.48Å; M396-F409 HydrophobicContact CE-CD1 3.89Å; M396-F409 HydrophobicContact CE-CE1 4.43Å; M396-F409 WeakPolarHBondContact O-CB 3.25Å; M396-F409 PolarHBondContact O-N 2.74Å; M396-F409 HydrophobicContact SD-CD1 3.99Å; M396-F409 HydrophobicContact SD-CE1 4.41Å; M396-M414 HydrophobicContact CE-CE 3.5Å; M396-M414 VanDerWaalsContact CE-CE 3.5Å; M396-M414 HydrophobicContact SD-CE 4.09Å; M396-F451 HydrophobicContact SD-CE1 3.61Å; M396-F451 HydrophobicContact SD-CZ 4Å
397	L	93.6	Very high	90.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.3	174	-63.4	-177.6	0	0	0	110.8	F320 L324 V385 E386 V388 F395 Y406 Q407	F320-L397 HydrophobicContact CB-CD1 4.29Å; F320-L397 HydrophobicContact CD1-CD1 3.56Å; F320-L397 HydrophobicContact CE1-CD1 4.1Å; F320-L397 HydrophobicContact CG-CD1 4.06Å; L324-L397 HydrophobicContact CD1-CD2 3.83Å; V385-L397 CarbonylContact C-O 3.59Å; V385-L397 WeakPolarHBondContact CA-O 3.12Å; E386-L397 HydrophobicContact CB-CB 4.43Å; E386-L397 PolarHBondContact N-O 2.99Å; E386-L397 PolarHBondContact O-N 3.49Å; V388-L397 HydrophobicContact CG2-CD1 4.26Å; V388-L397 HydrophobicContact CG2-CG 4.4Å; F395-L397 HydrophobicContact CD2-CD2 3.87Å; F395-L397 HydrophobicContact CD2-CG 3.96Å; F395-L397 HydrophobicContact CE2-CD1 3.94Å; F395-L397 HydrophobicContact CE2-CD2 3.78Å; F395-L397 HydrophobicContact CE2-CG 3.68Å; L397-Y406 HydrophobicContact CB-CD1 3.79Å; L397-Y406 HydrophobicContact CB-CG 4.24Å; L397-Y406 HydrophobicContact CD1-CD1 4.23Å; L397-Y406 HydrophobicContact CD1-CG 4.02Å; L397-Q407 WeakPolarHBondContact CA-O 3.15Å
398	Q	91.9	Very high	90.7	Very high	53 Å²	53	49.7 Å²	49.7	25%	0.248	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130	166.9	-172.2	179.5	23.1	0	0	108.2	I400 Y406 Q407 F409	Q398-I400 PolarHBondContact O-N 3.33Å; Q398-Y406 CarbonylContact O-C 3.57Å; Q398-Y406 WeakPolarHBondContact O-CA 3.34Å; Q398-Q407 HydrophobicContact CB-CG 4.05Å; Q398-Q407 PolarHBondContact N-O 2.9Å; Q398-Q407 PolarHBondContact O-N 3.4Å; Q398-F409 HydrophobicContact CB-CB 4.2Å; Q398-F409 HydrophobicContact CB-CD2 4.17Å
399	K	90.4	Very high	90.4	Very high	104 Å²	104	49.8 Å²	49.8	45%	0.452	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.4	172.3	-171.1	174.1	-179.6	177.4	0	109.2	S403 N404 Y406	K399-S403 WeakPolarHBondContact CE-O 3.5Å; K399-N404 PolarHBondContact NZ-OD1 3.42Å; K399-Y406 HydrophobicContact CB-CD1 4.11Å; K399-Y406 HydrophobicContact CB-CE1 4.01Å; K399-Y406 HydrophobicContact CG-CE1 4.49Å
400	I	88.2	Confident	90	Very high	35 Å²	35	56.1 Å²	56.1	18%	0.179	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-73.8	124.2	178.2	-57.3	170.6	0	0	0	108.1	D325 Q398 S403 R405 Q407	D325-I400 HydrophobicContact CB-CD1 3.79Å; D325-I400 WeakPolarHBondContact OD2-CD1 3.39Å; Q398-I400 PolarHBondContact O-N 3.33Å; I400-S403 WeakPolarHBondContact CB-OG 3.48Å; I400-S403 PolarHBondContact O-N 3.25Å; I400-S403 PolarHBondContact O-OG 2.92Å; I400-R405 HydrophobicContact CD1-CB 4.16Å; I400-R405 PolarHBondContact N-O 2.93Å; I400-Q407 HydrophobicContact CD1-CB 3.95Å; I400-Q407 HydrophobicContact CD1-CG 4.49Å; I400-Q407 HydrophobicContact CG1-CB 3.83Å; I400-Q407 HydrophobicContact CG1-CG 3.83Å
401	P	84.6	Confident	89.5	Confident	103 Å²	103	57.5 Å²	57.5	67%	0.669	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	148.5	178.5	-28.5	36.1	0	0	0	113.4	S403	P401-S403 PolarHBondContact O-N 3.41Å
402	D	80.4	Confident	89.1	Confident	182 Å²	182	52.4 Å²	52.4	97%	0.973	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	0.7	-178.8	-54.8	-38.9	0	0	0	116.8
403	S	83.2	Confident	88.6	Confident	36 Å²	36	56.6 Å²	56.6	25%	0.252	28%	0.283	S	S	.	.	S	Bend	trans	-111	171.5	172.1	89	0	0	0	0	111.6	K399 I400 P401 R405	K399-S403 WeakPolarHBondContact CE-O 3.5Å; I400-S403 WeakPolarHBondContact CB-OG 3.48Å; I400-S403 PolarHBondContact O-N 3.25Å; I400-S403 PolarHBondContact O-OG 2.92Å; P401-S403 PolarHBondContact O-N 3.41Å; S403-R405 PolarHBondContact OG-N 3.18Å
404	N	83.1	Confident	88.2	Confident	116 Å²	116	57.2 Å²	57.2	62%	0.62	29%	0.286	S	S	*	.	S	Bend	trans	-99.7	11.9	163.4	-81.3	-32.4	0	0	0	113.3	K399	K399-N404 PolarHBondContact NZ-OD1 3.42Å
405	R	90.3	Very high	87.8	Confident	125 Å²	125	58.5 Å²	58.5	47%	0.472	30%	0.295	S	S	.	.			trans	-90.8	158.6	178.9	-63.2	-157.9	-61.3	-140.1	15.1	112.8	L323 D325 I400 S403	L323-R405 CarbonylContact O-C 3.52Å; L323-R405 WeakPolarHBondContact O-CA 3.45Å; L323-R405 WeakPolarHBondContact O-CB 3.22Å; D325-R405 HydrophobicContact CB-CB 4.27Å; D325-R405 VanDerWaalsContact CG-CZ 3.43Å; D325-R405 IonicContact OD1-CZ 3.44Å; D325-R405 IonicContact OD1-NE 3.01Å; D325-R405 PolarHBondContact OD1-NE 3.22Å; D325-R405 IonicContact OD1-NH2 2.7Å; D325-R405 PolarHBondContact OD1-NH2 3.28Å; D325-R405 IonicContact OD2-CZ 3.13Å; D325-R405 IonicContact OD2-NE 2.67Å; D325-R405 PolarHBondContact OD2-NE 3.02Å; D325-R405 IonicContact OD2-NH2 3.87Å; D325-R405 PolarHBondContact OD2-NH2 3.25Å; I400-R405 HydrophobicContact CD1-CB 4.16Å; I400-R405 PolarHBondContact N-O 2.93Å; S403-R405 PolarHBondContact OG-N 3.18Å
406	Y	91.4	Very high	87.3	Confident	34 Å²	34	59.5 Å²	59.5	13%	0.133	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.2	174	-70	-83.2	0	0	0	109.9	F320 L323 L324 D325 L397 Q398 K399	F320-Y406 HydrophobicContact CD1-CD2 4.38Å; F320-Y406 HydrophobicContact CD1-CE2 4.15Å; F320-Y406 HydrophobicContact CE1-CE2 4.32Å; L323-Y406 HydrophobicContact CB-CD2 3.84Å; L323-Y406 HydrophobicContact CB-CE2 4.33Å; L323-Y406 HydrophobicContact CD1-CE2 4.22Å; L323-Y406 PolarHBondContact O-N 3.34Å; L324-Y406 WeakPolarHBondContact CA-O 3.22Å; D325-Y406 WeakPolarHBondContact CB-O 3.39Å; D325-Y406 PolarHBondContact N-O 2.86Å; L397-Y406 HydrophobicContact CB-CD1 3.79Å; L397-Y406 HydrophobicContact CB-CG 4.24Å; L397-Y406 HydrophobicContact CD1-CD1 4.23Å; L397-Y406 HydrophobicContact CD1-CG 4.02Å; Q398-Y406 CarbonylContact O-C 3.57Å; Q398-Y406 WeakPolarHBondContact O-CA 3.34Å; K399-Y406 HydrophobicContact CB-CD1 4.11Å; K399-Y406 HydrophobicContact CB-CE1 4.01Å; K399-Y406 HydrophobicContact CG-CE1 4.49Å
407	Q	90.9	Very high	87.2	Confident	80 Å²	80	59.8 Å²	59.8	37%	0.374	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	153.2	165.2	64	-174.9	18.3	0	0	110.3	L397 Q398 I400 F409	L397-Q407 WeakPolarHBondContact CA-O 3.15Å; Q398-Q407 HydrophobicContact CB-CG 4.05Å; Q398-Q407 PolarHBondContact N-O 2.9Å; Q398-Q407 PolarHBondContact O-N 3.4Å; I400-Q407 HydrophobicContact CD1-CB 3.95Å; I400-Q407 HydrophobicContact CD1-CG 4.49Å; I400-Q407 HydrophobicContact CG1-CB 3.83Å; I400-Q407 HydrophobicContact CG1-CG 3.83Å; Q407-F409 PolarHBondContact O-N 2.74Å
408	L	91.5	Very high	87.1	Confident	10 Å²	10	59.8 Å²	59.8	5%	0.052	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	122.2	170.7	-175.8	65.1	0	0	0	109.4	E346 L349 F395 R410 P416 I417	E346-L408 HydrophobicContact CG-CB 4.42Å; E346-L408 HydrophobicContact CG-CD2 4.24Å; L349-L408 HydrophobicContact CD2-CD1 4.07Å; F395-L408 HydrophobicContact CB-CD1 4.28Å; F395-L408 HydrophobicContact CD2-CD1 4.49Å; L408-R410 PolarHBondContact O-N 3.1Å; L408-P416 HydrophobicContact CD1-CB 4.14Å; L408-P416 HydrophobicContact CD2-CB 3.89Å; L408-P416 HydrophobicContact CD2-CG 4.02Å; L408-P416 HydrophobicContact CG-CB 3.81Å; L408-P416 HydrophobicContact CG-CG 4.48Å; L408-I417 HydrophobicContact CD1-CD1 4.47Å; L408-I417 HydrophobicContact CD1-CG1 3.89Å; L408-I417 HydrophobicContact CD2-CD1 4.01Å; L408-I417 HydrophobicContact CD2-CG1 4.06Å
409	F	90.7	Very high	87.1	Confident	3 Å²	3	58.1 Å²	58.1	1%	0.013	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-76	124.1	-175.3	174.7	-102	0	0	0	111.4	A368 Y383 V385 M396 Q398 Q407 T412 P416	A368-F409 HydrophobicContact CB-CE1 4.29Å; Y383-F409 HydrophobicContact CD1-CE2 4.08Å; Y383-F409 HydrophobicContact CD1-CZ 4.49Å; Y383-F409 HydrophobicContact CD2-CE2 4.17Å; Y383-F409 AromaticContact CD2-CZ 3.76Å; Y383-F409 HydrophobicContact CD2-CZ 3.76Å; Y383-F409 HydrophobicContact CE2-CZ 4.48Å; Y383-F409 AromaticContact CG-CE2 3.74Å; Y383-F409 HydrophobicContact CG-CE2 3.74Å; Y383-F409 AromaticContact CG-CZ 3.76Å; Y383-F409 HydrophobicContact CG-CZ 3.76Å; V385-F409 HydrophobicContact CG1-CB 4.12Å; V385-F409 HydrophobicContact CG1-CD1 3.91Å; V385-F409 HydrophobicContact CG1-CD2 3.64Å; V385-F409 HydrophobicContact CG1-CE1 4.2Å; V385-F409 HydrophobicContact CG1-CE2 3.94Å; V385-F409 HydrophobicContact CG1-CG 3.61Å; V385-F409 HydrophobicContact CG1-CZ 4.21Å; M396-F409 HydrophobicContact CB-CB 3.91Å; M396-F409 HydrophobicContact CB-CD1 4.18Å; M396-F409 HydrophobicContact CB-CG 4.48Å; M396-F409 HydrophobicContact CE-CD1 3.89Å; M396-F409 HydrophobicContact CE-CE1 4.43Å; M396-F409 WeakPolarHBondContact O-CB 3.25Å; M396-F409 PolarHBondContact O-N 2.74Å; M396-F409 HydrophobicContact SD-CD1 3.99Å; M396-F409 HydrophobicContact SD-CE1 4.41Å; Q398-F409 HydrophobicContact CB-CB 4.2Å; Q398-F409 HydrophobicContact CB-CD2 4.17Å; Q407-F409 PolarHBondContact O-N 2.74Å; F409-T412 HydrophobicContact CE1-CG2 3.91Å; F409-T412 HydrophobicContact CZ-CG2 4.33Å; F409-P416 WeakPolarHBondContact O-CB 3.44Å
410	R	87.7	Confident	87.1	Confident	132 Å²	132	53.4 Å²	53.4	50%	0.498	27%	0.274	S	S	.	.			trans	-123.5	25	-177.2	-64.1	172.7	174.8	-89.2	6.7	112.3	E346 L408 P416	E346-R410 VanDerWaalsContact CD-NH2 3.29Å; E346-R410 IonicContact OE1-CZ 3.22Å; E346-R410 IonicContact OE1-NE 2.68Å; E346-R410 PolarHBondContact OE1-NE 3.24Å; E346-R410 IonicContact OE1-NH2 3.04Å; E346-R410 PolarHBondContact OE1-NH2 2.84Å; E346-R410 IonicContact OE2-NH2 3.99Å; E346-R410 PolarHBondContact OE2-NH2 3.07Å; L408-R410 PolarHBondContact O-N 3.1Å; R410-P416 HydrophobicContact CG-CB 4.12Å; R410-P416 HydrophobicContact CG-CG 4.34Å
411	G	82.8	Confident	87	Confident	30 Å²	30	54 Å²	54	31%	0.309	29%	0.288	S	S	.	.			trans	-90	14.2	-174.7	0	0	0	0	0	115.7
412	T	82.8	Confident	87	Confident	19 Å²	19	55.4 Å²	55.4	12%	0.117	28%	0.284	C	S	.	.	S	Bend	trans	-136.5	159.2	174.5	53.6	0	0	0	0	109.3	P370 F409 M414 T449	P370-T412 HydrophobicContact CB-CG2 4.18Å; F409-T412 HydrophobicContact CE1-CG2 3.91Å; F409-T412 HydrophobicContact CZ-CG2 4.33Å; T412-M414 PolarHBondContact O-N 2.92Å; T412-T449 HydrophobicContact CG2-CG2 3.79Å; T412-T449 WeakPolarHBondContact CG2-OG1 2.92Å
413	E	81.2	Confident	87.3	Confident	124 Å²	124	48.5 Å²	48.5	58%	0.579	25%	0.246	S	C	*	.	S	Bend	trans	-70.3	-7.7	174.3	-70.6	-179.9	-121.5	0	0	113.3	A447	E413-A447 HydrophobicContact CB-CB 3.53Å; E413-A447 VanDerWaalsContact CD-CB 3.42Å; E413-A447 HydrophobicContact CG-CB 4.03Å; E413-A447 WeakPolarHBondContact OE2-CB 3.44Å
414	M	84.5	Confident	87.5	Confident	13 Å²	13	49.4 Å²	49.4	6%	0.064	24%	0.244	C	C	.	.	S	Bend	trans	-71.4	137.5	175.4	-163.8	176.5	79	0	0	110	F394 M396 T412 L418 I440 L442 F451	F394-M414 HydrophobicContact CE1-CE 4.02Å; M396-M414 HydrophobicContact CE-CE 3.5Å; M396-M414 VanDerWaalsContact CE-CE 3.5Å; M396-M414 HydrophobicContact SD-CE 4.09Å; T412-M414 PolarHBondContact O-N 2.92Å; M414-L418 HydrophobicContact CE-CD1 3.94Å; M414-L418 HydrophobicContact CE-CG 4.39Å; M414-L418 HydrophobicContact CG-CD2 4.28Å; M414-L418 HydrophobicContact SD-CD1 3.97Å; M414-I440 HydrophobicContact SD-CB 4.21Å; M414-I440 HydrophobicContact SD-CG2 4.22Å; M414-L442 HydrophobicContact CG-CD1 3.61Å; M414-L442 HydrophobicContact CG-CG 4.46Å; M414-L442 HydrophobicContact SD-CD1 4.42Å; M414-F451 HydrophobicContact CE-CE2 4.38Å; M414-F451 HydrophobicContact CE-CZ 3.76Å; M414-F451 HydrophobicContact SD-CE2 4.29Å; M414-F451 HydrophobicContact SD-CZ 4.16Å
415	P	86	Confident	87.8	Confident	29 Å²	29	44 Å²	44	19%	0.188	22%	0.216	C	C	.	.			trans	-54.5	134.9	175.2	-24.5	33.7	0	0	0	111.1	I417 L418 L442	P415-I417 PolarHBondContact O-N 3.35Å; P415-L418 HydrophobicContact CB-CD2 4.04Å; P415-L418 HydrophobicContact CG-CD2 4.27Å; P415-L442 HydrophobicContact CG-CD1 4.27Å
416	P	84.5	Confident	87.7	Confident	21 Å²	21	43.3 Å²	43.3	14%	0.136	21%	0.214	C	C	.	.	S	Bend	trans	-69.8	-18.5	-170.2	28.5	-36.8	0	0	0	113.5	F395 L408 F409 R410	F395-P416 WeakPolarHBondContact CA-O 3.22Å; F395-P416 WeakPolarHBondContact CB-O 3.29Å; L408-P416 HydrophobicContact CD1-CB 4.14Å; L408-P416 HydrophobicContact CD2-CB 3.89Å; L408-P416 HydrophobicContact CD2-CG 4.02Å; L408-P416 HydrophobicContact CG-CB 3.81Å; L408-P416 HydrophobicContact CG-CG 4.48Å; F409-P416 WeakPolarHBondContact O-CB 3.44Å; R410-P416 HydrophobicContact CG-CB 4.12Å; R410-P416 HydrophobicContact CG-CG 4.34Å
417	I	91.9	Very high	87.8	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	110.2	173.3	-51.5	164.8	0	0	0	108.9	D345 L349 C393 F394 F395 L408 P415 W419 H423	D345-I417 HydrophobicContact CB-CD1 4.18Å; L349-I417 HydrophobicContact CB-CD1 3.86Å; L349-I417 HydrophobicContact CD2-CD1 4.01Å; L349-I417 HydrophobicContact CD2-CG1 4.32Å; L349-I417 HydrophobicContact CG-CD1 4.35Å; C393-I417 HydrophobicContact CB-CG2 3.79Å; F394-I417 CarbonylContact O-C 3.52Å; F394-I417 WeakPolarHBondContact O-CA 3.15Å; F395-I417 HydrophobicContact CB-CB 4.34Å; F395-I417 HydrophobicContact CB-CG1 4Å; F395-I417 HydrophobicContact CB-CG2 4.29Å; L408-I417 HydrophobicContact CD1-CD1 4.47Å; L408-I417 HydrophobicContact CD1-CG1 3.89Å; L408-I417 HydrophobicContact CD2-CD1 4.01Å; L408-I417 HydrophobicContact CD2-CG1 4.06Å; P415-I417 PolarHBondContact O-N 3.35Å; I417-W419 HydrophobicContact CG2-CD2 4.13Å; I417-W419 HydrophobicContact CG2-CG 4.26Å; I417-W419 HydrophobicContact CG2-CZ2 4.02Å; I417-W419 PolarHBondContact O-N 3.45Å; I417-H423 PolarHBondContact O-CE1 3.49Å
418	L	91.4	Very high	87.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	85.8	172.7	-57.4	-175	0	0	0	109.8	C393 F394 M414 P415 W420 H423 L442 F466	C393-L418 CarbonylContact C-O 3.47Å; C393-L418 WeakPolarHBondContact CA-O 3.48Å; C393-L418 WeakPolarHBondContact CB-O 3.32Å; F394-L418 HydrophobicContact CB-CB 4.43Å; F394-L418 HydrophobicContact CD1-CB 4.47Å; F394-L418 HydrophobicContact CD1-CD1 4.06Å; F394-L418 HydrophobicContact CD1-CG 4.29Å; F394-L418 PolarHBondContact N-O 3.39Å; F394-L418 PolarHBondContact O-N 3.41Å; M414-L418 HydrophobicContact CE-CD1 3.94Å; M414-L418 HydrophobicContact CE-CG 4.39Å; M414-L418 HydrophobicContact CG-CD2 4.28Å; M414-L418 HydrophobicContact SD-CD1 3.97Å; P415-L418 HydrophobicContact CB-CD2 4.04Å; P415-L418 HydrophobicContact CG-CD2 4.27Å; L418-W420 PolarHBondContact O-N 3.16Å; L418-H423 HydrophobicContact CD2-CB 4.35Å; L418-L442 HydrophobicContact CD1-CD1 4.47Å; L418-L442 HydrophobicContact CD1-CD2 4.18Å; L418-L442 HydrophobicContact CD2-CD1 3.58Å; L418-L442 HydrophobicContact CD2-CD2 4.33Å; L418-F466 HydrophobicContact CD1-CE1 4.21Å
419	W	91.6	Very high	87.9	Confident	18 Å²	18	47.8 Å²	47.8	7%	0.068	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	117	166.1	-62.2	95.1	0	0	0	109.8	R348 E352 C393 I417 G421 K422 H423	R348-W419 HydrophobicContact CG-CH2 4.08Å; R348-W419 HydrophobicContact CG-CZ2 3.87Å; R348-W419 VanDerWaalsContact CZ-CE2 3.45Å; R348-W419 VanDerWaalsContact NH1-NE1 3.18Å; R348-W419 VanDerWaalsContact NH2-CE3 3.29Å; E352-W419 HydrophobicContact CB-CH2 3.99Å; E352-W419 HydrophobicContact CB-CZ3 4.47Å; E352-W419 HydrophobicContact CG-CH2 4.02Å; E352-W419 HydrophobicContact CG-CZ3 4.01Å; C393-W419 HydrophobicContact CB-CD2 3.98Å; C393-W419 HydrophobicContact CB-CE3 3.77Å; C393-W419 HydrophobicContact CB-CG 4.4Å; C393-W419 HydrophobicContact CB-CZ3 4.21Å; I417-W419 HydrophobicContact CG2-CD2 4.13Å; I417-W419 HydrophobicContact CG2-CG 4.26Å; I417-W419 HydrophobicContact CG2-CZ2 4.02Å; I417-W419 PolarHBondContact O-N 3.45Å; W419-G421 PolarHBondContact O-N 3.23Å; W419-K422 HydrophobicContact CB-CB 4.2Å; W419-K422 HydrophobicContact CB-CG 4.4Å; W419-K422 PolarHBondContact O-N 2.96Å; W419-H423 PolarHBondContact N-ND1 2.92Å; W419-H423 PolarHBondContact O-N 3.47Å; W419-H423 PolarHBondContact O-ND1 2.89Å; W419-H423 VanDerWaalsContact O-ND1 3.14Å
420	W	91.4	Very high	87.8	Confident	5 Å²	5	48.5 Å²	48.5	2%	0.019	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-46.7	-171.4	-59.6	134.1	0	0	0	112.6	L390 S392 F394 L418 K422 I465 F466 G469 F470 Q472	L390-W420 PolarHBondContact O-NE1 3.49Å; S392-W420 PolarHBondContact O-N 3.46Å; S392-W420 VanDerWaalsContact O-N 3.12Å; F394-W420 HydrophobicContact CB-CH2 3.41Å; F394-W420 VanDerWaalsContact CB-CH2 3.41Å; F394-W420 HydrophobicContact CB-CZ2 3.5Å; F394-W420 HydrophobicContact CB-CZ3 4.19Å; F394-W420 HydrophobicContact CG-CH2 4.42Å; L418-W420 PolarHBondContact O-N 3.16Å; W420-K422 PolarHBondContact O-N 2.89Å; W420-I465 HydrophobicContact CH2-CG2 4.47Å; W420-I465 HydrophobicContact CZ2-CG2 4.23Å; W420-F466 AromaticContact CH2-CD1 3.75Å; W420-F466 HydrophobicContact CH2-CD1 3.75Å; W420-F466 AromaticContact CH2-CE1 3.94Å; W420-F466 HydrophobicContact CH2-CE1 3.94Å; W420-F466 AromaticContact CZ3-CD1 3.87Å; W420-F466 HydrophobicContact CZ3-CD1 3.87Å; W420-F466 HydrophobicContact CZ3-CE1 4.21Å; W420-G469 WeakPolarHBondContact CB-O 3.37Å; W420-G469 VanDerWaalsContact CD2-CA 3.45Å; W420-G469 VanDerWaalsContact CE3-CA 3.49Å; W420-F470 HydrophobicContact CE3-CD1 4.38Å; W420-F470 HydrophobicContact CE3-CE1 4.44Å; W420-F470 HydrophobicContact CZ3-CD1 4.38Å; W420-F470 HydrophobicContact CZ3-CE1 4.16Å; W420-F470 HydrophobicContact CZ3-CZ 4.49Å; W420-Q472 HydrophobicContact CB-CB 4.33Å
421	G	85.5	Confident	87.4	Confident	47 Å²	47	45.9 Å²	45.9	49%	0.485	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	15.8	174.4	0	0	0	0	0	115.4	W419	W419-G421 PolarHBondContact O-N 3.23Å
422	K	84.8	Confident	87.3	Confident	133 Å²	133	47.4 Å²	47.4	58%	0.578	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.9	-37.8	174.5	-66.4	-162.3	171.8	-159.5	0	113.4	W419 W420 W473	W419-K422 HydrophobicContact CB-CB 4.2Å; W419-K422 HydrophobicContact CB-CG 4.4Å; W419-K422 PolarHBondContact O-N 2.96Å; W420-K422 PolarHBondContact O-N 2.89Å; K422-W473 PolarHBondContact O-NE1 3.21Å
423	H	86.8	Confident	86.5	Confident	37 Å²	37	56.3 Å²	56.3	17%	0.171	29%	0.285	C	S	.	.			trans	-103.8	123.6	-176.5	-58.3	88.1	0	0	0	111.1	I417 L418 W419 F470	I417-H423 PolarHBondContact O-CE1 3.49Å; L418-H423 HydrophobicContact CD2-CB 4.35Å; W419-H423 PolarHBondContact N-ND1 2.92Å; W419-H423 PolarHBondContact O-N 3.47Å; W419-H423 PolarHBondContact O-ND1 2.89Å; W419-H423 VanDerWaalsContact O-ND1 3.14Å; H423-F470 WeakPolarHBondContact O-CD1 3.14Å
424	Y	87.6	Confident	85.9	Confident	56 Å²	56	55.2 Å²	55.2	22%	0.22	30%	0.297	C	S	.	.			trans	-103.8	149.2	170.8	-174.4	-113.3	0	0	0	111.6	Y426 L442 H443 F470 W473	Y424-Y426 HydrophobicContact CE1-CE1 4.17Å; Y424-Y426 AromaticContact CE1-CE2 3.96Å; Y424-Y426 HydrophobicContact CE1-CE2 3.96Å; Y424-Y426 AromaticContact CE1-CZ 3.62Å; Y424-Y426 WeakPolarHBondContact CE1-OH 3.45Å; Y424-Y426 AromaticContact CZ-CE1 3.98Å; Y424-Y426 AromaticContact CZ-CZ 3.91Å; Y424-Y426 WeakPolarHBondContact OH-CE1 2.94Å; Y424-Y426 PolarHBondContact OH-OH 2.99Å; Y424-L442 WeakPolarHBondContact O-CA 3.27Å; Y424-H443 PolarHBondContact O-N 3.06Å; Y424-F470 HydrophobicContact CD2-CB 4.19Å; Y424-F470 HydrophobicContact CE2-CB 4.26Å; Y424-W473 HydrophobicContact CD2-CB 4.15Å; Y424-W473 HydrophobicContact CD2-CD2 4.09Å; Y424-W473 AromaticContact CD2-CE3 3.93Å; Y424-W473 HydrophobicContact CD2-CE3 3.93Å; Y424-W473 HydrophobicContact CD2-CG 4.22Å; Y424-W473 HydrophobicContact CG-CD2 4.07Å; Y424-W473 HydrophobicContact CG-CE3 4.02Å; Y424-W473 HydrophobicContact CG-CG 4.43Å; Y424-W473 HydrophobicContact CG-CZ3 4.34Å
425	G	88.4	Confident	85.5	Confident	3 Å²	3	56.1 Å²	56.1	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	-174.4	177.5	0	0	0	0	0	113.5	L441 F470	G425-L441 CarbonylContact C-O 3.44Å; G425-L441 WeakPolarHBondContact CA-O 3.48Å; G425-F470 WeakPolarHBondContact O-CD2 3.45Å; G425-F470 WeakPolarHBondContact O-CG 3.34Å
426	Y	89.5	Confident	85.7	Confident	110 Å²	110	58.3 Å²	58.3	43%	0.431	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.2	-178.9	-58.5	-80.9	0	0	0	111	Y424 L441	Y424-Y426 HydrophobicContact CE1-CE1 4.17Å; Y424-Y426 AromaticContact CE1-CE2 3.96Å; Y424-Y426 HydrophobicContact CE1-CE2 3.96Å; Y424-Y426 AromaticContact CE1-CZ 3.62Å; Y424-Y426 WeakPolarHBondContact CE1-OH 3.45Å; Y424-Y426 AromaticContact CZ-CE1 3.98Å; Y424-Y426 AromaticContact CZ-CZ 3.91Å; Y424-Y426 WeakPolarHBondContact OH-CE1 2.94Å; Y424-Y426 PolarHBondContact OH-OH 2.99Å; Y426-L441 PolarHBondContact N-O 2.64Å; Y426-L441 PolarHBondContact O-N 3.05Å
427	F	92.7	Very high	86	Confident	12 Å²	12	57.3 Å²	57.3	5%	0.053	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	137.7	166.9	-172.3	-89.2	0	0	0	110.3	K429 F438 I440 L459 W462 E463 F466	F427-K429 HydrophobicContact CE1-CG 3.92Å; F427-F438 HydrophobicContact CD2-CB 4.4Å; F427-F438 AromaticContact CD2-CD2 3.8Å; F427-F438 HydrophobicContact CD2-CD2 3.8Å; F427-F438 HydrophobicContact CD2-CE2 4.33Å; F427-F438 HydrophobicContact CD2-CG 4.26Å; F427-F438 HydrophobicContact CE1-CB 3.97Å; F427-F438 HydrophobicContact CE2-CB 3.63Å; F427-F438 AromaticContact CE2-CD1 3.98Å; F427-F438 HydrophobicContact CE2-CD1 3.98Å; F427-F438 AromaticContact CE2-CD2 3.25Å; F427-F438 HydrophobicContact CE2-CD2 3.25Å; F427-F438 HydrophobicContact CE2-CE1 4.42Å; F427-F438 AromaticContact CE2-CE2 3.78Å; F427-F438 HydrophobicContact CE2-CE2 3.78Å; F427-F438 AromaticContact CE2-CG 3.35Å; F427-F438 HydrophobicContact CE2-CG 3.35Å; F427-F438 HydrophobicContact CE2-CZ 4.33Å; F427-F438 HydrophobicContact CZ-CB 3.37Å; F427-F438 HydrophobicContact CZ-CD1 4.04Å; F427-F438 AromaticContact CZ-CD2 3.95Å; F427-F438 HydrophobicContact CZ-CD2 3.95Å; F427-F438 AromaticContact CZ-CG 3.55Å; F427-F438 HydrophobicContact CZ-CG 3.55Å; F427-I440 HydrophobicContact CD2-CD1 3.7Å; F427-I440 HydrophobicContact CE2-CD1 4.47Å; F427-L459 HydrophobicContact CZ-CD1 4.02Å; F427-W462 HydrophobicContact CE2-CB 4.31Å; F427-E463 HydrophobicContact CD1-CB 3.88Å; F427-E463 HydrophobicContact CD1-CG 3.66Å; F427-E463 HydrophobicContact CE1-CB 3.42Å; F427-E463 VanDerWaalsContact CE1-CB 3.42Å; F427-E463 HydrophobicContact CE1-CG 3.62Å; F427-E463 HydrophobicContact CE2-CB 4.24Å; F427-E463 HydrophobicContact CG-CB 4.47Å; F427-E463 HydrophobicContact CG-CG 4.4Å; F427-E463 HydrophobicContact CZ-CB 3.62Å; F427-E463 HydrophobicContact CZ-CG 4.32Å; F427-F466 HydrophobicContact CB-CB 4.25Å; F427-F466 HydrophobicContact CD2-CB 3.82Å; F427-F466 AromaticContact CD2-CD2 3.85Å; F427-F466 HydrophobicContact CD2-CD2 3.85Å; F427-F466 HydrophobicContact CD2-CG 4.12Å; F427-F466 HydrophobicContact CE2-CD2 4.06Å; F427-F466 HydrophobicContact CG-CB 4.45Å
428	R	91.7	Very high	86.1	Confident	120 Å²	120	57 Å²	57	45%	0.453	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	116.2	172.8	-69	-63.5	-172.5	-160.9	0.8	111.5	F438 Y439 L441	R428-F438 CarbonylContact O-C 3.49Å; R428-F438 VanDerWaalsContact O-CA 3.3Å; R428-F438 WeakPolarHBondContact O-CA 3.41Å; R428-Y439 PolarHBondContact N-O 3.49Å; R428-Y439 PolarHBondContact O-N 2.91Å; R428-L441 HydrophobicContact CB-CD1 3.92Å; R428-L441 HydrophobicContact CG-CD1 3.46Å; R428-L441 VanDerWaalsContact CG-CD1 3.46Å
429	K	92.1	Very high	86.1	Confident	85 Å²	85	59.4 Å²	59.4	37%	0.37	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	141.1	168.8	-67.7	-178.7	172.2	112.4	0	111.3	F427 L459 E463	F427-K429 HydrophobicContact CE1-CG 3.92Å; K429-L459 HydrophobicContact CG-CD2 4.49Å; K429-E463 WeakPolarHBondContact CE-OE1 3.29Å; K429-E463 VanDerWaalsContact CE-OE2 3.29Å; K429-E463 WeakPolarHBondContact CE-OE2 3.31Å; K429-E463 IonicContact NZ-OE1 2.74Å; K429-E463 PolarHBondContact NZ-OE1 2.9Å; K429-E463 IonicContact NZ-OE2 2.65Å; K429-E463 PolarHBondContact NZ-OE2 2.88Å
430	S	88.3	Confident	86	Confident	19 Å²	19	58.7 Å²	58.7	13%	0.133	31%	0.31	C	S	.	.			trans	-69.2	142.3	176.8	-173.6	0	0	0	0	112.1	E432 G437	S430-E432 VanDerWaalsContact C-N 3.25Å; S430-E432 PolarHBondContact O-N 2.76Å; S430-E432 WeakPolarHBondContact OG-CG 3.37Å; S430-E432 PolarHBondContact OG-N 3.03Å; S430-G437 WeakPolarHBondContact CB-O 3.44Å; S430-G437 PolarHBondContact N-O 2.89Å
431	G	80.7	Confident	85.7	Confident	76 Å²	76	61.4 Å²	61.4	78%	0.784	33%	0.325	S	S	*	.			trans	-77.3	-7.4	173.1	0	0	0	0	0	114.3	K433	G431-K433 PolarHBondContact O-N 3.21Å; G431-K433 VanDerWaalsContact O-N 3.15Å
432	E	80.1	Confident	85.7	Confident	62 Å²	62	59.9 Å²	59.9	29%	0.29	31%	0.306	S	S	.	.	S	Bend	trans	-61.3	109.4	175.9	-73.4	-178.8	155.6	0	0	111	Q378 S430 A434 S435 R452	Q378-E432 PolarHBondContact NE2-OE1 3.44Å; S430-E432 VanDerWaalsContact C-N 3.25Å; S430-E432 PolarHBondContact O-N 2.76Å; S430-E432 WeakPolarHBondContact OG-CG 3.37Å; S430-E432 PolarHBondContact OG-N 3.03Å; E432-A434 PolarHBondContact O-N 2.99Å; E432-S435 WeakPolarHBondContact O-CB 3.44Å; E432-S435 PolarHBondContact O-N 3.23Å; E432-S435 WeakPolarHBondContact OE2-CB 3.24Å; E432-S435 PolarHBondContact OE2-OG 3.39Å; E432-R452 IonicContact OE1-NH2 2.79Å; E432-R452 PolarHBondContact OE1-NH2 2.75Å; E432-R452 IonicContact OE2-CZ 3.25Å; E432-R452 IonicContact OE2-NE 3.12Å; E432-R452 IonicContact OE2-NH2 2.71Å; E432-R452 PolarHBondContact OE2-NH2 3.21Å
433	K	66	Low	85.5	Confident	206 Å²	206	61.5 Å²	61.5	90%	0.896	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	126.5	178.8	-66.2	179.1	-177.7	174.3	0	110.4	G431 S435	G431-K433 PolarHBondContact O-N 3.21Å; G431-K433 VanDerWaalsContact O-N 3.15Å; K433-S435 VanDerWaalsContact C-N 3.29Å
434	A	68.3	Low	84.9	Confident	102 Å²	102	63.6 Å²	63.6	84%	0.843	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	12.9	-174.9	0	0	0	0	0	116.4	E432	E432-A434 PolarHBondContact O-N 2.99Å
435	S	76.5	Confident	84.1	Confident	31 Å²	31	62.6 Å²	62.6	22%	0.217	33%	0.333	C	S	.	.			trans	-97.5	127.9	167.2	-173.7	0	0	0	0	109.5	E432 K433 G437	E432-S435 WeakPolarHBondContact O-CB 3.44Å; E432-S435 PolarHBondContact O-N 3.23Å; E432-S435 WeakPolarHBondContact OE2-CB 3.24Å; E432-S435 PolarHBondContact OE2-OG 3.39Å; K433-S435 VanDerWaalsContact C-N 3.29Å; S435-G437 PolarHBondContact O-N 3.22Å
436	F	89.5	Confident	83.1	Confident	75 Å²	75	68.9 Å²	68.9	33%	0.329	37%	0.371	S	S	.	.			trans	-86.4	50.4	175.4	-49.2	-46.5	0	0	0	110.8	C453 A454 V456	F436-C453 HydrophobicContact CB-CB 4.13Å; F436-C453 WeakPolarHBondContact O-CB 3.49Å; F436-C453 PolarHBondContact O-N 3.28Å; F436-A454 VanDerWaalsContact CD2-O 3.31Å; F436-A454 WeakPolarHBondContact CD2-O 3.36Å; F436-A454 WeakPolarHBondContact CE2-O 3.43Å; F436-V456 HydrophobicContact CD1-CG2 3.65Å; F436-V456 HydrophobicContact CE1-CG2 3.31Å; F436-V456 HydrophobicContact CZ-CG2 3.92Å
437	G	91.3	Very high	82.1	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	154.4	-173.9	0	0	0	0	0	114.2	S430 S435 F451	S430-G437 WeakPolarHBondContact CB-O 3.44Å; S430-G437 PolarHBondContact N-O 2.89Å; S435-G437 PolarHBondContact O-N 3.22Å; G437-F451 CarbonylContact C-O 3.4Å; G437-F451 WeakPolarHBondContact CA-O 3.46Å
438	F	93.4	Very high	81.4	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	158	169.3	65.9	-88.4	0	0	0	112.2	L366 F427 R428 I440 F451 L459 W462 F466	L366-F438 HydrophobicContact CD1-CZ 4.14Å; L366-F438 HydrophobicContact CD2-CE1 3.92Å; L366-F438 HydrophobicContact CD2-CZ 4.25Å; F427-F438 HydrophobicContact CD2-CB 4.4Å; F427-F438 AromaticContact CD2-CD2 3.8Å; F427-F438 HydrophobicContact CD2-CD2 3.8Å; F427-F438 HydrophobicContact CD2-CE2 4.33Å; F427-F438 HydrophobicContact CD2-CG 4.26Å; F427-F438 HydrophobicContact CE1-CB 3.97Å; F427-F438 HydrophobicContact CE2-CB 3.63Å; F427-F438 AromaticContact CE2-CD1 3.98Å; F427-F438 HydrophobicContact CE2-CD1 3.98Å; F427-F438 AromaticContact CE2-CD2 3.25Å; F427-F438 HydrophobicContact CE2-CD2 3.25Å; F427-F438 HydrophobicContact CE2-CE1 4.42Å; F427-F438 AromaticContact CE2-CE2 3.78Å; F427-F438 HydrophobicContact CE2-CE2 3.78Å; F427-F438 AromaticContact CE2-CG 3.35Å; F427-F438 HydrophobicContact CE2-CG 3.35Å; F427-F438 HydrophobicContact CE2-CZ 4.33Å; F427-F438 HydrophobicContact CZ-CB 3.37Å; F427-F438 HydrophobicContact CZ-CD1 4.04Å; F427-F438 AromaticContact CZ-CD2 3.95Å; F427-F438 HydrophobicContact CZ-CD2 3.95Å; F427-F438 AromaticContact CZ-CG 3.55Å; F427-F438 HydrophobicContact CZ-CG 3.55Å; R428-F438 CarbonylContact O-C 3.49Å; R428-F438 VanDerWaalsContact O-CA 3.3Å; R428-F438 WeakPolarHBondContact O-CA 3.41Å; F438-I440 HydrophobicContact CD2-CD1 3.86Å; F438-I440 HydrophobicContact CD2-CG1 4.13Å; F438-I440 HydrophobicContact CE2-CD1 3.83Å; F438-I440 HydrophobicContact CE2-CG1 3.93Å; F438-F451 HydrophobicContact CD1-CB 3.89Å; F438-F451 HydrophobicContact CD2-CB 4.03Å; F438-F451 AromaticContact CD2-CD2 3.88Å; F438-F451 HydrophobicContact CD2-CD2 3.88Å; F438-F451 HydrophobicContact CD2-CG 4.34Å; F438-F451 HydrophobicContact CE1-CB 3.54Å; F438-F451 HydrophobicContact CE1-CG 4.39Å; F438-F451 HydrophobicContact CE2-CB 3.68Å; F438-F451 AromaticContact CE2-CD2 3.45Å; F438-F451 HydrophobicContact CE2-CD2 3.45Å; F438-F451 VanDerWaalsContact CE2-CD2 3.45Å; F438-F451 HydrophobicContact CE2-CE2 4.34Å; F438-F451 AromaticContact CE2-CG 3.75Å; F438-F451 HydrophobicContact CE2-CG 3.75Å; F438-F451 HydrophobicContact CG-CB 4.14Å; F438-F451 HydrophobicContact CZ-CB 3.43Å; F438-F451 VanDerWaalsContact CZ-CB 3.43Å; F438-F451 AromaticContact CZ-CD2 4Å; F438-F451 HydrophobicContact CZ-CD2 4Å; F438-F451 AromaticContact CZ-CG 3.79Å; F438-F451 HydrophobicContact CZ-CG 3.79Å; F438-F451 PolarHBondContact N-O 2.7Å; F438-F451 PolarHBondContact O-N 3.2Å; F438-L459 HydrophobicContact CB-CD1 3.84Å; F438-L459 HydrophobicContact CD1-CD1 3.71Å; F438-L459 HydrophobicContact CG-CD1 4.22Å; F438-W462 HydrophobicContact CE1-CB 3.97Å; F438-W462 HydrophobicContact CE1-CG 4.14Å; F438-W462 HydrophobicContact CZ-CB 4.08Å; F438-W462 HydrophobicContact CZ-CG 4.21Å; F438-F466 HydrophobicContact CE2-CD2 4.09Å; F438-F466 AromaticContact CE2-CE2 3.65Å; F438-F466 HydrophobicContact CE2-CE2 3.65Å; F438-F466 HydrophobicContact CE2-CZ 4.44Å; F438-F466 AromaticContact CZ-CE2 3.92Å; F438-F466 HydrophobicContact CZ-CE2 3.92Å
439	Y	91.3	Very high	81	Confident	49 Å²	49	61 Å²	61	19%	0.192	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.3	171	-55.3	-83.8	0	0	0	109.3	L371 R428 T449 L450	L371-Y439 HydrophobicContact CD1-CD1 4.16Å; L371-Y439 HydrophobicContact CD1-CE1 3.6Å; R428-Y439 PolarHBondContact N-O 3.49Å; R428-Y439 PolarHBondContact O-N 2.91Å; Y439-T449 WeakPolarHBondContact CA-O 3.28Å; Y439-L450 HydrophobicContact CD1-CB 4.1Å; Y439-L450 HydrophobicContact CD1-CD1 4.33Å; Y439-L450 HydrophobicContact CE1-CB 3.63Å; Y439-L450 HydrophobicContact CE1-CD1 3.85Å; Y439-L450 HydrophobicContact CE1-CD2 4.46Å; Y439-L450 HydrophobicContact CE1-CG 4.17Å; Y439-L450 HydrophobicContact CE2-CD1 4.27Å
440	I	89.7	Confident	80.9	Confident	3 Å²	3	57 Å²	57	2%	0.015	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.7	162.8	-57.1	-57.8	0	0	0	107.3	M414 F427 F438 L442 F451 F466 F470	M414-I440 HydrophobicContact SD-CB 4.21Å; M414-I440 HydrophobicContact SD-CG2 4.22Å; F427-I440 HydrophobicContact CD2-CD1 3.7Å; F427-I440 HydrophobicContact CE2-CD1 4.47Å; F438-I440 HydrophobicContact CD2-CD1 3.86Å; F438-I440 HydrophobicContact CD2-CG1 4.13Å; F438-I440 HydrophobicContact CE2-CD1 3.83Å; F438-I440 HydrophobicContact CE2-CG1 3.93Å; I440-L442 HydrophobicContact CG2-CD2 3.74Å; I440-L442 HydrophobicContact CG2-CG 4.1Å; I440-F451 HydrophobicContact CB-CE2 4.34Å; I440-F451 HydrophobicContact CG1-CD2 4.16Å; I440-F451 HydrophobicContact CG1-CE2 3.85Å; I440-F466 HydrophobicContact CD1-CB 4.2Å; I440-F466 HydrophobicContact CD1-CD1 3.67Å; I440-F466 HydrophobicContact CD1-CD2 3.67Å; I440-F466 HydrophobicContact CD1-CE1 3.89Å; I440-F466 HydrophobicContact CD1-CE2 3.9Å; I440-F466 HydrophobicContact CD1-CG 3.56Å; I440-F466 HydrophobicContact CD1-CZ 4Å; I440-F466 HydrophobicContact CG1-CD1 4.36Å; I440-F466 HydrophobicContact CG1-CE1 4.11Å; I440-F466 HydrophobicContact CG1-CE2 4.35Å; I440-F466 HydrophobicContact CG1-CZ 4.1Å; I440-F470 HydrophobicContact CG2-CE2 4.23Å; I440-F470 HydrophobicContact CG2-CZ 3.83Å
441	L	86.3	Confident	81.1	Confident	63 Å²	63	56.1 Å²	56.1	33%	0.33	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	105.2	174.2	-58.8	92.4	0	0	0	107.8	G425 Y426 R428 L448	G425-L441 CarbonylContact C-O 3.44Å; G425-L441 WeakPolarHBondContact CA-O 3.48Å; Y426-L441 PolarHBondContact N-O 2.64Å; Y426-L441 PolarHBondContact O-N 3.05Å; R428-L441 HydrophobicContact CB-CD1 3.92Å; R428-L441 HydrophobicContact CG-CD1 3.46Å; R428-L441 VanDerWaalsContact CG-CD1 3.46Å; L441-L448 HydrophobicContact CB-CD2 4.47Å; L441-L448 HydrophobicContact CD2-CD2 3.81Å; L441-L448 HydrophobicContact CG-CD2 3.62Å
442	L	85.2	Confident	81.6	Confident	15 Å²	15	55.4 Å²	55.4	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	150.8	177.2	-60.4	179.1	0	0	0	110.9	M414 P415 L418 Y424 I440 S444 F470	M414-L442 HydrophobicContact CG-CD1 3.61Å; M414-L442 HydrophobicContact CG-CG 4.46Å; M414-L442 HydrophobicContact SD-CD1 4.42Å; P415-L442 HydrophobicContact CG-CD1 4.27Å; L418-L442 HydrophobicContact CD1-CD1 4.47Å; L418-L442 HydrophobicContact CD1-CD2 4.18Å; L418-L442 HydrophobicContact CD2-CD1 3.58Å; L418-L442 HydrophobicContact CD2-CD2 4.33Å; Y424-L442 WeakPolarHBondContact O-CA 3.27Å; I440-L442 HydrophobicContact CG2-CD2 3.74Å; I440-L442 HydrophobicContact CG2-CG 4.1Å; L442-S444 VanDerWaalsContact C-N 3.27Å; L442-S444 PolarHBondContact O-N 3.27Å; L442-F470 HydrophobicContact CD2-CE1 3.88Å; L442-F470 HydrophobicContact CD2-CZ 3.82Å
443	H	80.1	Confident	82.2	Confident	167 Å²	167	53 Å²	53	77%	0.773	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-30.2	174.1	-171.2	77.9	0	0	0	112.5	Y424	Y424-H443 PolarHBondContact O-N 3.06Å
444	S	73.9	Confident	83.4	Confident	80 Å²	80	46.7 Å²	46.7	56%	0.559	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-10.7	-174.7	55	0	0	0	0	115.7	L442	L442-S444 VanDerWaalsContact C-N 3.27Å; L442-S444 PolarHBondContact O-N 3.27Å
445	T	70.9	Confident	84.6	Confident	35 Å²	35	44.2 Å²	44.2	22%	0.215	25%	0.249	C	C	.	.			trans	-142.9	124.6	-175	58.5	0	0	0	0	111.3	A447	T445-A447 VanDerWaalsContact C-N 3.3Å; T445-A447 PolarHBondContact O-N 2.91Å
446	T	68.2	Low	85.3	Confident	135 Å²	135	46.8 Å²	46.8	83%	0.828	26%	0.263	S	S	*	.			trans	-74.1	-16.4	-179.5	46.7	0	0	0	0	114.4
447	A	67.1	Low	85.4	Confident	11 Å²	11	48.4 Å²	48.4	9%	0.091	28%	0.275	C	S	.	.			trans	-74.5	147	-179.5	0	0	0	0	0	113	E413 T445	E413-A447 HydrophobicContact CB-CB 3.53Å; E413-A447 VanDerWaalsContact CD-CB 3.42Å; E413-A447 HydrophobicContact CG-CB 4.03Å; E413-A447 WeakPolarHBondContact OE2-CB 3.44Å; T445-A447 VanDerWaalsContact C-N 3.3Å; T445-A447 PolarHBondContact O-N 2.91Å
448	L	78.1	Confident	85.5	Confident	61 Å²	61	50.4 Å²	50.4	32%	0.319	28%	0.284	S	S	.	.			trans	-111.9	135.4	-177.6	-62.3	173.6	0	0	0	110.3	L371 L441	L371-L448 HydrophobicContact CB-CB 4.19Å; L371-L448 WeakPolarHBondContact CB-O 3.47Å; L371-L448 HydrophobicContact CD1-CB 3.67Å; L371-L448 HydrophobicContact CD1-CD1 4.17Å; L371-L448 PolarHBondContact N-O 3.37Å; L441-L448 HydrophobicContact CB-CD2 4.47Å; L441-L448 HydrophobicContact CD2-CD2 3.81Å; L441-L448 HydrophobicContact CG-CD2 3.62Å
449	T	84.6	Confident	85.5	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.9	167.7	-58.9	0	0	0	0	109.2	A368 T412 Y439 F451	A368-T449 HydrophobicContact CB-CG2 4.09Å; T412-T449 HydrophobicContact CG2-CG2 3.79Å; T412-T449 WeakPolarHBondContact CG2-OG1 2.92Å; Y439-T449 WeakPolarHBondContact CA-O 3.28Å; T449-F451 HydrophobicContact CG2-CD1 4.14Å; T449-F451 HydrophobicContact CG2-CD2 4.17Å; T449-F451 HydrophobicContact CG2-CE1 3.67Å; T449-F451 HydrophobicContact CG2-CE2 3.71Å; T449-F451 HydrophobicContact CG2-CG 4.37Å; T449-F451 HydrophobicContact CG2-CZ 3.44Å; T449-F451 VanDerWaalsContact CG2-CZ 3.44Å
450	L	89.5	Confident	85.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	108.8	167.5	175.7	54.6	0	0	0	108.6	N369 Q378 Y439 R452	N369-L450 HydrophobicContact CB-CB 4.28Å; N369-L450 PolarHBondContact N-O 2.81Å; N369-L450 PolarHBondContact ND2-O 3.47Å; N369-L450 PolarHBondContact O-N 2.74Å; Q378-L450 HydrophobicContact CG-CD2 4.47Å; Y439-L450 HydrophobicContact CD1-CB 4.1Å; Y439-L450 HydrophobicContact CD1-CD1 4.33Å; Y439-L450 HydrophobicContact CE1-CB 3.63Å; Y439-L450 HydrophobicContact CE1-CD1 3.85Å; Y439-L450 HydrophobicContact CE1-CD2 4.46Å; Y439-L450 HydrophobicContact CE1-CG 4.17Å; Y439-L450 HydrophobicContact CE2-CD1 4.27Å; L450-R452 HydrophobicContact CG-CG 4.29Å
451	F	92.4	Very high	85.8	Confident	1 Å²	1	55 Å²	55	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	142.4	167.1	-60.9	-77.5	0	0	0	109.4	L366 Y367 A368 M396 M414 G437 F438 I440 T449	L366-F451 HydrophobicContact CB-CD1 4.44Å; L366-F451 HydrophobicContact CD1-CD1 4.23Å; Y367-F451 CarbonylContact O-C 3.58Å; Y367-F451 WeakPolarHBondContact O-CA 3.47Å; A368-F451 HydrophobicContact CB-CD1 4.05Å; A368-F451 HydrophobicContact CB-CE1 3.87Å; M396-F451 HydrophobicContact SD-CE1 3.61Å; M396-F451 HydrophobicContact SD-CZ 4Å; M414-F451 HydrophobicContact CE-CE2 4.38Å; M414-F451 HydrophobicContact CE-CZ 3.76Å; M414-F451 HydrophobicContact SD-CE2 4.29Å; M414-F451 HydrophobicContact SD-CZ 4.16Å; G437-F451 CarbonylContact C-O 3.4Å; G437-F451 WeakPolarHBondContact CA-O 3.46Å; F438-F451 HydrophobicContact CD1-CB 3.89Å; F438-F451 HydrophobicContact CD2-CB 4.03Å; F438-F451 AromaticContact CD2-CD2 3.88Å; F438-F451 HydrophobicContact CD2-CD2 3.88Å; F438-F451 HydrophobicContact CD2-CG 4.34Å; F438-F451 HydrophobicContact CE1-CB 3.54Å; F438-F451 HydrophobicContact CE1-CG 4.39Å; F438-F451 HydrophobicContact CE2-CB 3.68Å; F438-F451 AromaticContact CE2-CD2 3.45Å; F438-F451 HydrophobicContact CE2-CD2 3.45Å; F438-F451 VanDerWaalsContact CE2-CD2 3.45Å; F438-F451 HydrophobicContact CE2-CE2 4.34Å; F438-F451 AromaticContact CE2-CG 3.75Å; F438-F451 HydrophobicContact CE2-CG 3.75Å; F438-F451 HydrophobicContact CG-CB 4.14Å; F438-F451 HydrophobicContact CZ-CB 3.43Å; F438-F451 VanDerWaalsContact CZ-CB 3.43Å; F438-F451 AromaticContact CZ-CD2 4Å; F438-F451 HydrophobicContact CZ-CD2 4Å; F438-F451 AromaticContact CZ-CG 3.79Å; F438-F451 HydrophobicContact CZ-CG 3.79Å; F438-F451 PolarHBondContact N-O 2.7Å; F438-F451 PolarHBondContact O-N 3.2Å; I440-F451 HydrophobicContact CB-CE2 4.34Å; I440-F451 HydrophobicContact CG1-CD2 4.16Å; I440-F451 HydrophobicContact CG1-CE2 3.85Å; T449-F451 HydrophobicContact CG2-CD1 4.14Å; T449-F451 HydrophobicContact CG2-CD2 4.17Å; T449-F451 HydrophobicContact CG2-CE1 3.67Å; T449-F451 HydrophobicContact CG2-CE2 3.71Å; T449-F451 HydrophobicContact CG2-CG 4.37Å; T449-F451 HydrophobicContact CG2-CZ 3.44Å; T449-F451 VanDerWaalsContact CG2-CZ 3.44Å
452	R	92.1	Very high	86.2	Confident	60 Å²	60	52.1 Å²	52.1	23%	0.226	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.3	172.1	-66.7	176.1	166.1	122.6	-3.7	110.9	Y367 N369 E432 L450	Y367-R452 PolarHBondContact N-O 2.73Å; Y367-R452 PolarHBondContact O-N 3.06Å; N369-R452 PolarHBondContact OD1-NH1 2.91Å; E432-R452 IonicContact OE1-NH2 2.79Å; E432-R452 PolarHBondContact OE1-NH2 2.75Å; E432-R452 IonicContact OE2-CZ 3.25Å; E432-R452 IonicContact OE2-NE 3.12Å; E432-R452 IonicContact OE2-NH2 2.71Å; E432-R452 PolarHBondContact OE2-NH2 3.21Å; L450-R452 HydrophobicContact CG-CG 4.29Å
453	C	92.8	Very high	86.7	Confident	13 Å²	13	52.7 Å²	52.7	9%	0.088	30%	0.298	C	S	.	.			trans	-90.2	166	171.9	-55.6	0	0	0	0	111.3	F436 E458	F436-C453 HydrophobicContact CB-CB 4.13Å; F436-C453 WeakPolarHBondContact O-CB 3.49Å; F436-C453 PolarHBondContact O-N 3.28Å; C453-E458 HydrophobicContact CB-CB 3.78Å
454	A	91.1	Very high	87.4	Confident	73 Å²	73	48 Å²	48	60%	0.603	28%	0.281	S	S	*	.	S	Bend	trans	-85.5	-26.1	170.2	0	0	0	0	0	112.9	F436 E458	F436-A454 VanDerWaalsContact CD2-O 3.31Å; F436-A454 WeakPolarHBondContact CD2-O 3.36Å; F436-A454 WeakPolarHBondContact CE2-O 3.43Å; A454-E458 WeakPolarHBondContact CA-OE2 3.34Å; A454-E458 WeakPolarHBondContact CB-OE2 3.49Å; A454-E458 PolarHBondContact N-OE2 3.25Å
455	T	92	Very high	88.4	Confident	50 Å²	50	44.9 Å²	44.9	31%	0.307	26%	0.258	S	S	.	.	S	Bend	trans	-132.9	161.3	-178.9	64.6	0	0	0	0	114.4	D457 E458 L459	T455-D457 VanDerWaalsContact C-N 3.27Å; T455-D457 PolarHBondContact O-N 3.48Å; T455-E458 WeakPolarHBondContact CG2-OE1 3.45Å; T455-E458 PolarHBondContact N-OE2 3.32Å; T455-E458 VanDerWaalsContact N-OE2 3.1Å; T455-E458 VanDerWaalsContact OG1-CG 3.24Å; T455-E458 WeakPolarHBondContact OG1-CG 3.2Å; T455-E458 PolarHBondContact OG1-N 2.74Å; T455-E458 PolarHBondContact OG1-OE1 3.27Å; T455-L459 PolarHBondContact O-N 3.46Å
456	V	91	Very high	89.5	Confident	84 Å²	84	43.2 Å²	43.2	51%	0.509	25%	0.248	S	C	.	.	H	α-helix	trans	-63	-36.1	170.8	-179	0	0	0	0	111	F436 L459 A460	F436-V456 HydrophobicContact CD1-CG2 3.65Å; F436-V456 HydrophobicContact CE1-CG2 3.31Å; F436-V456 HydrophobicContact CZ-CG2 3.92Å; V456-L459 WeakPolarHBondContact O-CB 3.42Å; V456-L459 PolarHBondContact O-N 3.19Å; V456-A460 PolarHBondContact O-N 3.3Å
457	D	91.8	Very high	90.7	Very high	110 Å²	110	39.3 Å²	39.3	59%	0.588	22%	0.222	S	C	*	.	H	α-helix	trans	-71.9	-33.5	-176.6	-51.4	-36.3	0	0	0	111.4	T455 R461	T455-D457 VanDerWaalsContact C-N 3.27Å; T455-D457 PolarHBondContact O-N 3.48Å; D457-R461 WeakPolarHBondContact O-CG 3.27Å; D457-R461 PolarHBondContact O-N 3.14Å; D457-R461 PolarHBondContact O-NH1 3.45Å
458	E	93	Very high	91.9	Very high	42 Å²	42	43.2 Å²	43.2	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-46.3	167.6	-75.3	150.3	-136.5	0	0	111.7	C453 A454 T455 A460 R461 W462	C453-E458 HydrophobicContact CB-CB 3.78Å; A454-E458 WeakPolarHBondContact CA-OE2 3.34Å; A454-E458 WeakPolarHBondContact CB-OE2 3.49Å; A454-E458 PolarHBondContact N-OE2 3.25Å; T455-E458 WeakPolarHBondContact CG2-OE1 3.45Å; T455-E458 PolarHBondContact N-OE2 3.32Å; T455-E458 VanDerWaalsContact N-OE2 3.1Å; T455-E458 VanDerWaalsContact OG1-CG 3.24Å; T455-E458 WeakPolarHBondContact OG1-CG 3.2Å; T455-E458 PolarHBondContact OG1-N 2.74Å; T455-E458 PolarHBondContact OG1-OE1 3.27Å; E458-A460 VanDerWaalsContact C-N 3.29Å; E458-A460 PolarHBondContact O-N 3.19Å; E458-R461 PolarHBondContact O-N 2.58Å; E458-W462 PolarHBondContact O-N 3.28Å
459	L	93.9	Very high	92.5	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-41.5	177.3	177.9	67.9	0	0	0	111.6	F427 K429 F438 T455 V456 E463	F427-L459 HydrophobicContact CZ-CD1 4.02Å; K429-L459 HydrophobicContact CG-CD2 4.49Å; F438-L459 HydrophobicContact CB-CD1 3.84Å; F438-L459 HydrophobicContact CD1-CD1 3.71Å; F438-L459 HydrophobicContact CG-CD1 4.22Å; T455-L459 PolarHBondContact O-N 3.46Å; V456-L459 WeakPolarHBondContact O-CB 3.42Å; V456-L459 PolarHBondContact O-N 3.19Å; L459-E463 WeakPolarHBondContact O-CB 3.49Å; L459-E463 PolarHBondContact O-N 2.97Å
460	A	93.5	Very high	92.8	Very high	42 Å²	42	40.5 Å²	40.5	35%	0.347	23%	0.227	S	C	.	.	H	α-helix	trans	-68.6	-40.5	175.9	0	0	0	0	0	112.6	V456 E458 E463 T464	V456-A460 PolarHBondContact O-N 3.3Å; E458-A460 VanDerWaalsContact C-N 3.29Å; E458-A460 PolarHBondContact O-N 3.19Å; A460-E463 WeakPolarHBondContact O-CB 3.29Å; A460-E463 PolarHBondContact O-N 3.45Å; A460-T464 PolarHBondContact O-N 2.7Å; A460-T464 PolarHBondContact O-OG1 2.99Å
461	R	94	Very high	92.8	Very high	90 Å²	90	44.4 Å²	44.4	34%	0.34	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-48.2	173.2	-75.6	-168.8	-56.9	-79.3	12.5	111.4	D457 E458 E463 T464 I465	D457-R461 WeakPolarHBondContact O-CG 3.27Å; D457-R461 PolarHBondContact O-N 3.14Å; D457-R461 PolarHBondContact O-NH1 3.45Å; E458-R461 PolarHBondContact O-N 2.58Å; R461-E463 VanDerWaalsContact C-N 3.32Å; R461-E463 PolarHBondContact O-N 2.99Å; R461-T464 PolarHBondContact O-N 3.25Å; R461-I465 HydrophobicContact CB-CD1 4.38Å; R461-I465 WeakPolarHBondContact O-CD1 3.32Å; R461-I465 WeakPolarHBondContact O-CG1 3.49Å; R461-I465 PolarHBondContact O-N 3.4Å
462	W	95.7	Very high	92.4	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.011	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-38.4	179	-75.4	119.5	0	0	0	112.4	N362 L366 G387 A389 F394 F427 F438 E458 I465 F466	N362-W462 WeakPolarHBondContact ND2-CH2 3.32Å; N362-W462 WeakPolarHBondContact ND2-CZ2 3.14Å; L366-W462 HydrophobicContact CD1-CZ2 4.1Å; L366-W462 HydrophobicContact CG-CZ2 4.46Å; G387-W462 WeakPolarHBondContact O-CH2 3.47Å; A389-W462 HydrophobicContact CB-CZ3 4.01Å; F394-W462 HydrophobicContact CD2-CH2 4.22Å; F394-W462 AromaticContact CD2-CZ3 3.73Å; F394-W462 HydrophobicContact CD2-CZ3 3.73Å; F394-W462 HydrophobicContact CE2-CE3 4.38Å; F394-W462 AromaticContact CE2-CH2 3.8Å; F394-W462 HydrophobicContact CE2-CH2 3.8Å; F394-W462 AromaticContact CE2-CZ3 3.59Å; F394-W462 HydrophobicContact CE2-CZ3 3.59Å; F427-W462 HydrophobicContact CE2-CB 4.31Å; F438-W462 HydrophobicContact CE1-CB 3.97Å; F438-W462 HydrophobicContact CE1-CG 4.14Å; F438-W462 HydrophobicContact CZ-CB 4.08Å; F438-W462 HydrophobicContact CZ-CG 4.21Å; E458-W462 PolarHBondContact O-N 3.28Å; W462-I465 HydrophobicContact CD2-CD1 4.4Å; W462-I465 HydrophobicContact CE3-CB 4.4Å; W462-I465 HydrophobicContact CE3-CD1 3.9Å; W462-I465 HydrophobicContact CE3-CG2 4.27Å; W462-I465 HydrophobicContact CZ3-CD1 4.2Å; W462-I465 HydrophobicContact CZ3-CG2 4.29Å; W462-I465 PolarHBondContact O-N 3Å; W462-F466 HydrophobicContact CB-CD2 4.46Å; W462-F466 HydrophobicContact CE3-CD2 4.35Å; W462-F466 AromaticContact CE3-CE2 3.87Å; W462-F466 HydrophobicContact CE3-CE2 3.87Å; W462-F466 VanDerWaalsContact O-CD2 3.23Å; W462-F466 WeakPolarHBondContact O-CD2 3.46Å; W462-F466 PolarHBondContact O-N 2.82Å
463	E	95	Very high	91.8	Very high	27 Å²	27	49.2 Å²	49.2	13%	0.126	28%	0.28	C	S	.	.	H	α-helix	trans	-56.4	-52.7	172.8	-178.7	166.9	-110.4	0	0	112.5	F427 K429 L459 A460 R461 I465 F466 N467	F427-E463 HydrophobicContact CD1-CB 3.88Å; F427-E463 HydrophobicContact CD1-CG 3.66Å; F427-E463 HydrophobicContact CE1-CB 3.42Å; F427-E463 VanDerWaalsContact CE1-CB 3.42Å; F427-E463 HydrophobicContact CE1-CG 3.62Å; F427-E463 HydrophobicContact CE2-CB 4.24Å; F427-E463 HydrophobicContact CG-CB 4.47Å; F427-E463 HydrophobicContact CG-CG 4.4Å; F427-E463 HydrophobicContact CZ-CB 3.62Å; F427-E463 HydrophobicContact CZ-CG 4.32Å; K429-E463 WeakPolarHBondContact CE-OE1 3.29Å; K429-E463 VanDerWaalsContact CE-OE2 3.29Å; K429-E463 WeakPolarHBondContact CE-OE2 3.31Å; K429-E463 IonicContact NZ-OE1 2.74Å; K429-E463 PolarHBondContact NZ-OE1 2.9Å; K429-E463 IonicContact NZ-OE2 2.65Å; K429-E463 PolarHBondContact NZ-OE2 2.88Å; L459-E463 WeakPolarHBondContact O-CB 3.49Å; L459-E463 PolarHBondContact O-N 2.97Å; A460-E463 WeakPolarHBondContact O-CB 3.29Å; A460-E463 PolarHBondContact O-N 3.45Å; R461-E463 VanDerWaalsContact C-N 3.32Å; R461-E463 PolarHBondContact O-N 2.99Å; E463-I465 PolarHBondContact O-N 3.22Å; E463-F466 PolarHBondContact O-N 2.91Å; E463-N467 WeakPolarHBondContact O-CB 3.48Å; E463-N467 PolarHBondContact O-N 3.46Å
464	T	94.8	Very high	90.4	Very high	68 Å²	68	58.5 Å²	58.5	42%	0.417	31%	0.314	S	S	.	.	H	α-helix	trans	-58.3	-47	176.3	-55.5	0	0	0	0	111.2	A460 R461 F466 N467 D468	A460-T464 PolarHBondContact O-N 2.7Å; A460-T464 PolarHBondContact O-OG1 2.99Å; R461-T464 PolarHBondContact O-N 3.25Å; T464-F466 PolarHBondContact O-N 3.31Å; T464-N467 PolarHBondContact O-N 3.22Å; T464-D468 WeakPolarHBondContact CG2-OD2 3.41Å; T464-D468 VanDerWaalsContact O-CB 3.28Å; T464-D468 WeakPolarHBondContact O-CB 3.49Å; T464-D468 PolarHBondContact O-N 3.36Å
465	I	94.3	Very high	88.7	Confident	15 Å²	15	58.8 Å²	58.8	8%	0.077	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-43.9	-178.7	-67.2	156	0	0	0	112.3	I361 N362 A389 W420 R461 W462 E463 G469	I361-I465 HydrophobicContact CG2-CG1 4.08Å; N362-I465 HydrophobicContact CB-CD1 3.31Å; N362-I465 HydrophobicContact CB-CG1 4.41Å; A389-I465 HydrophobicContact CB-CG2 3.54Å; W420-I465 HydrophobicContact CH2-CG2 4.47Å; W420-I465 HydrophobicContact CZ2-CG2 4.23Å; R461-I465 HydrophobicContact CB-CD1 4.38Å; R461-I465 WeakPolarHBondContact O-CD1 3.32Å; R461-I465 WeakPolarHBondContact O-CG1 3.49Å; R461-I465 PolarHBondContact O-N 3.4Å; W462-I465 HydrophobicContact CD2-CD1 4.4Å; W462-I465 HydrophobicContact CE3-CB 4.4Å; W462-I465 HydrophobicContact CE3-CD1 3.9Å; W462-I465 HydrophobicContact CE3-CG2 4.27Å; W462-I465 HydrophobicContact CZ3-CD1 4.2Å; W462-I465 HydrophobicContact CZ3-CG2 4.29Å; W462-I465 PolarHBondContact O-N 3Å; E463-I465 PolarHBondContact O-N 3.22Å; I465-G469 WeakPolarHBondContact O-CA 3.09Å; I465-G469 PolarHBondContact O-N 3.34Å
466	F	94.3	Very high	86.6	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-72.6	-38.8	179.1	-82.4	-69.7	0	0	0	111.8	F394 L418 W420 F427 F438 I440 W462 E463 T464 G469 F470	F394-F466 HydrophobicContact CB-CE1 4.35Å; F394-F466 AromaticContact CD1-CE1 3.93Å; F394-F466 HydrophobicContact CD1-CE1 3.93Å; F394-F466 AromaticContact CD1-CZ 3.81Å; F394-F466 HydrophobicContact CD1-CZ 3.81Å; F394-F466 HydrophobicContact CD2-CE1 4.43Å; F394-F466 AromaticContact CD2-CZ 3.9Å; F394-F466 HydrophobicContact CD2-CZ 3.9Å; F394-F466 HydrophobicContact CE1-CE1 4.34Å; F394-F466 AromaticContact CE1-CZ 3.82Å; F394-F466 HydrophobicContact CE1-CZ 3.82Å; F394-F466 HydrophobicContact CE2-CE2 4.48Å; F394-F466 AromaticContact CE2-CZ 3.89Å; F394-F466 HydrophobicContact CE2-CZ 3.89Å; F394-F466 AromaticContact CG-CE1 3.98Å; F394-F466 HydrophobicContact CG-CE1 3.98Å; F394-F466 AromaticContact CG-CZ 3.85Å; F394-F466 HydrophobicContact CG-CZ 3.85Å; F394-F466 AromaticContact CZ-CZ 3.85Å; F394-F466 HydrophobicContact CZ-CZ 3.85Å; L418-F466 HydrophobicContact CD1-CE1 4.21Å; W420-F466 AromaticContact CH2-CD1 3.75Å; W420-F466 HydrophobicContact CH2-CD1 3.75Å; W420-F466 AromaticContact CH2-CE1 3.94Å; W420-F466 HydrophobicContact CH2-CE1 3.94Å; W420-F466 AromaticContact CZ3-CD1 3.87Å; W420-F466 HydrophobicContact CZ3-CD1 3.87Å; W420-F466 HydrophobicContact CZ3-CE1 4.21Å; F427-F466 HydrophobicContact CB-CB 4.25Å; F427-F466 HydrophobicContact CD2-CB 3.82Å; F427-F466 AromaticContact CD2-CD2 3.85Å; F427-F466 HydrophobicContact CD2-CD2 3.85Å; F427-F466 HydrophobicContact CD2-CG 4.12Å; F427-F466 HydrophobicContact CE2-CD2 4.06Å; F427-F466 HydrophobicContact CG-CB 4.45Å; F438-F466 HydrophobicContact CE2-CD2 4.09Å; F438-F466 AromaticContact CE2-CE2 3.65Å; F438-F466 HydrophobicContact CE2-CE2 3.65Å; F438-F466 HydrophobicContact CE2-CZ 4.44Å; F438-F466 AromaticContact CZ-CE2 3.92Å; F438-F466 HydrophobicContact CZ-CE2 3.92Å; I440-F466 HydrophobicContact CD1-CB 4.2Å; I440-F466 HydrophobicContact CD1-CD1 3.67Å; I440-F466 HydrophobicContact CD1-CD2 3.67Å; I440-F466 HydrophobicContact CD1-CE1 3.89Å; I440-F466 HydrophobicContact CD1-CE2 3.9Å; I440-F466 HydrophobicContact CD1-CG 3.56Å; I440-F466 HydrophobicContact CD1-CZ 4Å; I440-F466 HydrophobicContact CG1-CD1 4.36Å; I440-F466 HydrophobicContact CG1-CE1 4.11Å; I440-F466 HydrophobicContact CG1-CE2 4.35Å; I440-F466 HydrophobicContact CG1-CZ 4.1Å; W462-F466 HydrophobicContact CB-CD2 4.46Å; W462-F466 HydrophobicContact CE3-CD2 4.35Å; W462-F466 AromaticContact CE3-CE2 3.87Å; W462-F466 HydrophobicContact CE3-CE2 3.87Å; W462-F466 VanDerWaalsContact O-CD2 3.23Å; W462-F466 WeakPolarHBondContact O-CD2 3.46Å; W462-F466 PolarHBondContact O-N 2.82Å; E463-F466 PolarHBondContact O-N 2.91Å; T464-F466 PolarHBondContact O-N 3.31Å; F466-G469 PolarHBondContact O-N 3.15Å; F466-F470 HydrophobicContact CB-CD2 4.34Å; F466-F470 HydrophobicContact CB-CE2 4.04Å; F466-F470 AromaticContact CD1-CE2 3.83Å; F466-F470 HydrophobicContact CD1-CE2 3.83Å; F466-F470 AromaticContact CD1-CZ 3.87Å; F466-F470 HydrophobicContact CD1-CZ 3.87Å; F466-F470 HydrophobicContact CG-CE2 4.36Å; F466-F470 WeakPolarHBondContact O-CB 3.2Å; F466-F470 WeakPolarHBondContact O-CD2 3.46Å; F466-F470 VanDerWaalsContact O-CG 3.31Å; F466-F470 WeakPolarHBondContact O-CG 3.32Å; F466-F470 PolarHBondContact O-N 3.44Å
467	N	93.5	Very high	84.3	Confident	53 Å²	53	64.8 Å²	64.8	28%	0.283	32%	0.323	S	S	.	.	H	α-helix	trans	-64.4	-48.3	175.2	-76.6	-4.1	0	0	0	111.5	E463 T464 G469 F470 A471 D1154	E463-N467 WeakPolarHBondContact O-CB 3.48Å; E463-N467 PolarHBondContact O-N 3.46Å; T464-N467 PolarHBondContact O-N 3.22Å; N467-G469 VanDerWaalsContact C-N 3.3Å; N467-G469 PolarHBondContact O-N 2.94Å; N467-F470 PolarHBondContact O-N 3.19Å; N467-A471 VanDerWaalsContact O-CB 3.25Å; N467-A471 WeakPolarHBondContact O-CB 3.46Å; N467-A471 PolarHBondContact O-N 3.07Å; N467-D1154 PolarHBondContact ND2-OD2 3.05Å
468	D	92.4	Very high	82.1	Confident	93 Å²	93	65.2 Å²	65.2	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-65.4	-32.8	176.6	-68	-6.5	0	0	0	111.9	T464 Q472	T464-D468 WeakPolarHBondContact CG2-OD2 3.41Å; T464-D468 VanDerWaalsContact O-CB 3.28Å; T464-D468 WeakPolarHBondContact O-CB 3.49Å; T464-D468 PolarHBondContact O-N 3.36Å; D468-Q472 WeakPolarHBondContact O-CG 3.39Å; D468-Q472 PolarHBondContact O-N 2.91Å; D468-Q472 PolarHBondContact O-NE2 2.92Å
469	G	91.2	Very high	80	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-66.2	-55	173.4	0	0	0	0	0	112.1	W420 I465 F466 N467 A471 Q472	W420-G469 WeakPolarHBondContact CB-O 3.37Å; W420-G469 VanDerWaalsContact CD2-CA 3.45Å; W420-G469 VanDerWaalsContact CE3-CA 3.49Å; I465-G469 WeakPolarHBondContact O-CA 3.09Å; I465-G469 PolarHBondContact O-N 3.34Å; F466-G469 PolarHBondContact O-N 3.15Å; N467-G469 VanDerWaalsContact C-N 3.3Å; N467-G469 PolarHBondContact O-N 2.94Å; G469-A471 PolarHBondContact O-N 3.14Å; G469-Q472 WeakPolarHBondContact O-CB 3.32Å; G469-Q472 PolarHBondContact O-N 3.17Å; G469-Q472 VanDerWaalsContact O-N 3.08Å
470	F	91.6	Very high	77.6	Confident	10 Å²	10	71.4 Å²	71.4	4%	0.044	36%	0.356	C	S	.	.	H	α-helix	trans	-68.2	-21.2	178.2	-61.5	-46.5	0	0	0	113.2	W420 H423 Y424 G425 I440 L442 F466 N467 Q472 W473	W420-F470 HydrophobicContact CE3-CD1 4.38Å; W420-F470 HydrophobicContact CE3-CE1 4.44Å; W420-F470 HydrophobicContact CZ3-CD1 4.38Å; W420-F470 HydrophobicContact CZ3-CE1 4.16Å; W420-F470 HydrophobicContact CZ3-CZ 4.49Å; H423-F470 WeakPolarHBondContact O-CD1 3.14Å; Y424-F470 HydrophobicContact CD2-CB 4.19Å; Y424-F470 HydrophobicContact CE2-CB 4.26Å; G425-F470 WeakPolarHBondContact O-CD2 3.45Å; G425-F470 WeakPolarHBondContact O-CG 3.34Å; I440-F470 HydrophobicContact CG2-CE2 4.23Å; I440-F470 HydrophobicContact CG2-CZ 3.83Å; L442-F470 HydrophobicContact CD2-CE1 3.88Å; L442-F470 HydrophobicContact CD2-CZ 3.82Å; F466-F470 HydrophobicContact CB-CD2 4.34Å; F466-F470 HydrophobicContact CB-CE2 4.04Å; F466-F470 AromaticContact CD1-CE2 3.83Å; F466-F470 HydrophobicContact CD1-CE2 3.83Å; F466-F470 AromaticContact CD1-CZ 3.87Å; F466-F470 HydrophobicContact CD1-CZ 3.87Å; F466-F470 HydrophobicContact CG-CE2 4.36Å; F466-F470 WeakPolarHBondContact O-CB 3.2Å; F466-F470 WeakPolarHBondContact O-CD2 3.46Å; F466-F470 VanDerWaalsContact O-CG 3.31Å; F466-F470 WeakPolarHBondContact O-CG 3.32Å; F466-F470 PolarHBondContact O-N 3.44Å; N467-F470 PolarHBondContact O-N 3.19Å; F470-Q472 VanDerWaalsContact C-N 3.3Å; F470-W473 VanDerWaalsContact O-CB 3.28Å; F470-W473 WeakPolarHBondContact O-CB 3.38Å; F470-W473 PolarHBondContact O-N 3.34Å
471	A	88.7	Confident	75.5	Confident	81 Å²	81	77 Å²	77	67%	0.669	38%	0.375	S	S	*	.	H	α-helix	trans	-71.3	-20	170.9	0	0	0	0	0	113.9	N467 G469 W473	N467-A471 VanDerWaalsContact O-CB 3.25Å; N467-A471 WeakPolarHBondContact O-CB 3.46Å; N467-A471 PolarHBondContact O-N 3.07Å; G469-A471 PolarHBondContact O-N 3.14Å; A471-W473 VanDerWaalsContact C-N 3.3Å
472	Q	84.7	Confident	73.7	Confident	81 Å²	81	75.7 Å²	75.7	38%	0.379	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.3	173.1	-70.3	167.2	81.7	0	0	113.2	K391 W420 D468 G469 F470 R474	K391-Q472 PolarHBondContact O-OE1 2.91Å; W420-Q472 HydrophobicContact CB-CB 4.33Å; D468-Q472 WeakPolarHBondContact O-CG 3.39Å; D468-Q472 PolarHBondContact O-N 2.91Å; D468-Q472 PolarHBondContact O-NE2 2.92Å; G469-Q472 WeakPolarHBondContact O-CB 3.32Å; G469-Q472 PolarHBondContact O-N 3.17Å; G469-Q472 VanDerWaalsContact O-N 3.08Å; F470-Q472 VanDerWaalsContact C-N 3.3Å; Q472-R474 PolarHBondContact O-N 3.43Å
473	W	79.6	Confident	71.7	Confident	81 Å²	81	78.5 Å²	78.5	31%	0.307	40%	0.395	S	S	.	.			trans	-64.4	121.9	175.8	-176.4	77.5	0	0	0	110.3	K422 Y424 F470 A471 E475	K422-W473 PolarHBondContact O-NE1 3.21Å; Y424-W473 HydrophobicContact CD2-CB 4.15Å; Y424-W473 HydrophobicContact CD2-CD2 4.09Å; Y424-W473 AromaticContact CD2-CE3 3.93Å; Y424-W473 HydrophobicContact CD2-CE3 3.93Å; Y424-W473 HydrophobicContact CD2-CG 4.22Å; Y424-W473 HydrophobicContact CG-CD2 4.07Å; Y424-W473 HydrophobicContact CG-CE3 4.02Å; Y424-W473 HydrophobicContact CG-CG 4.43Å; Y424-W473 HydrophobicContact CG-CZ3 4.34Å; F470-W473 VanDerWaalsContact O-CB 3.28Å; F470-W473 WeakPolarHBondContact O-CB 3.38Å; F470-W473 PolarHBondContact O-N 3.34Å; A471-W473 VanDerWaalsContact C-N 3.3Å; W473-E475 HydrophobicContact CE3-CG 4.4Å; W473-E475 HydrophobicContact CH2-CG 3.22Å; W473-E475 WeakPolarHBondContact CH2-OE1 3.37Å; W473-E475 HydrophobicContact CZ2-CG 3.73Å; W473-E475 HydrophobicContact CZ3-CG 3.6Å
474	R	63.2	Low	70.4	Confident	209 Å²	209	80.3 Å²	80.3	79%	0.789	41%	0.411	S	S	*	.			trans	-110.3	136.6	165	-55.8	-173.5	-166	-89.2	4.6	107	Q472	Q472-R474 PolarHBondContact O-N 3.43Å
475	E	54.2	Low	69.1	Low	78 Å²	78	84.2 Å²	84.2	36%	0.364	42%	0.424	S	S	.	.			trans	-59.3	140.8	160.1	-68.8	178.6	155.2	0	0	108.6	W473 M477	W473-E475 HydrophobicContact CE3-CG 4.4Å; W473-E475 HydrophobicContact CH2-CG 3.22Å; W473-E475 WeakPolarHBondContact CH2-OE1 3.37Å; W473-E475 HydrophobicContact CZ2-CG 3.73Å; W473-E475 HydrophobicContact CZ3-CG 3.6Å; E475-M477 PolarHBondContact O-N 3.32Å; E475-M477 VanDerWaalsContact O-N 3.16Å
476	H	48.7	Very low	67.9	Low	125 Å²	125	89.4 Å²	89.4	58%	0.579	45%	0.448	S	S	*	.			trans	-60.3	118.7	161.6	-112.6	-93.2	0	0	0	106.2	D478 T479	H476-D478 IonicContact CE1-OD2 2.94Å; H476-D478 IonicContact CG-OD2 3.8Å; H476-D478 IonicContact ND1-OD2 3.97Å; H476-D478 PolarHBondContact ND1-OD2 2.96Å; H476-D478 PolarHBondContact O-N 3.28Å; H476-D478 VanDerWaalsContact O-N 3.12Å; H476-T479 WeakPolarHBondContact O-CB 3.49Å; H476-T479 PolarHBondContact O-N 2.86Å; H476-T479 PolarHBondContact O-OG1 3.38Å
477	M	42.8	Very low	66.7	Low	136 Å²	136	96.6 Å²	96.6	67%	0.67	48%	0.48	S	S	*	.	H	α-helix	trans	-61.8	-26.9	-171.1	-63.3	-88.4	68.3	0	0	112	E475 T479 F480	E475-M477 PolarHBondContact O-N 3.32Å; E475-M477 VanDerWaalsContact O-N 3.16Å; M477-T479 PolarHBondContact O-N 3.24Å; M477-T479 VanDerWaalsContact O-N 3.1Å; M477-F480 HydrophobicContact CE-CB 4.37Å; M477-F480 PolarHBondContact O-N 3.37Å
478	D	44.7	Very low	65.7	Low	119 Å²	119	97 Å²	97	64%	0.636	49%	0.486	S	S	*	.	H	α-helix	trans	-53.1	-27	170.7	-32.1	-79.1	0	0	0	113	H476	H476-D478 IonicContact CE1-OD2 2.94Å; H476-D478 IonicContact CG-OD2 3.8Å; H476-D478 IonicContact ND1-OD2 3.97Å; H476-D478 PolarHBondContact ND1-OD2 2.96Å; H476-D478 PolarHBondContact O-N 3.28Å; H476-D478 VanDerWaalsContact O-N 3.12Å
479	T	48.6	Very low	65.2	Low	65 Å²	65	99 Å²	99	40%	0.399	49%	0.49	S	S	.	.	H	α-helix	trans	-84.2	-30.4	179.4	-15.4	0	0	0	0	112.9	H476 M477 L483	H476-T479 WeakPolarHBondContact O-CB 3.49Å; H476-T479 PolarHBondContact O-N 2.86Å; H476-T479 PolarHBondContact O-OG1 3.38Å; M477-T479 PolarHBondContact O-N 3.24Å; M477-T479 VanDerWaalsContact O-N 3.1Å; T479-L483 HydrophobicContact CG2-CD1 4.07Å; T479-L483 HydrophobicContact CG2-CG 4.42Å; T479-L483 VanDerWaalsContact O-CB 3.25Å; T479-L483 WeakPolarHBondContact O-CB 3.44Å; T479-L483 VanDerWaalsContact O-CG 3.27Å; T479-L483 WeakPolarHBondContact O-CG 3.48Å; T479-L483 PolarHBondContact O-N 2.89Å
480	F	43.3	Very low	64.4	Low	123 Å²	123	101 Å²	101	54%	0.539	51%	0.508	S	S	.	.	H	α-helix	trans	-71.3	-37.8	-175.8	-172.3	-89.3	0	0	0	111.4	M477 S484	M477-F480 HydrophobicContact CE-CB 4.37Å; M477-F480 PolarHBondContact O-N 3.37Å; F480-S484 WeakPolarHBondContact O-CB 3.46Å; F480-S484 PolarHBondContact O-N 3.4Å
481	E	50.7	Low	63.7	Low	158 Å²	158	109.3 Å²	109.3	74%	0.738	54%	0.539	S	S	*	.	H	α-helix	trans	-68.8	-44.4	176.9	-158.2	158.1	-138.7	0	0	110.9	L483 S484 E485	E481-L483 PolarHBondContact O-N 2.7Å; E481-S484 WeakPolarHBondContact O-CB 3.49Å; E481-S484 PolarHBondContact O-N 2.92Å; E481-E485 PolarHBondContact O-N 3.43Å
482	S	56.8	Low	63.5	Low	63 Å²	63	110 Å²	110	44%	0.441	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-41.6	173.1	-174.5	0	0	0	0	113.2	E485 E486	S482-E485 PolarHBondContact O-N 3.39Å; S482-E486 PolarHBondContact O-N 3.46Å
483	L	53.7	Low	63.3	Low	63 Å²	63	110.6 Å²	110.6	33%	0.33	53%	0.534	S	S	.	.	H	α-helix	trans	-71.4	-32.9	176.3	-76	168.6	0	0	0	111.6	T479 E481 E485 E486 F487	T479-L483 HydrophobicContact CG2-CD1 4.07Å; T479-L483 HydrophobicContact CG2-CG 4.42Å; T479-L483 VanDerWaalsContact O-CB 3.25Å; T479-L483 WeakPolarHBondContact O-CB 3.44Å; T479-L483 VanDerWaalsContact O-CG 3.27Å; T479-L483 WeakPolarHBondContact O-CG 3.48Å; T479-L483 PolarHBondContact O-N 2.89Å; E481-L483 PolarHBondContact O-N 2.7Å; L483-E485 VanDerWaalsContact C-N 3.35Å; L483-E486 PolarHBondContact O-N 2.78Å; L483-F487 HydrophobicContact CB-CD2 4.38Å; L483-F487 HydrophobicContact CB-CE2 4.49Å; L483-F487 VanDerWaalsContact O-CB 3.29Å; L483-F487 WeakPolarHBondContact O-CB 3.43Å; L483-F487 WeakPolarHBondContact O-CD2 3.35Å; L483-F487 WeakPolarHBondContact O-CG 3.4Å; L483-F487 PolarHBondContact O-N 2.69Å
484	S	66.6	Low	63.4	Low	65 Å²	65	112.1 Å²	112.1	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-63.1	-42.6	172.8	-174.5	0	0	0	0	111.1	F480 E481 F487 S488	F480-S484 WeakPolarHBondContact O-CB 3.46Å; F480-S484 PolarHBondContact O-N 3.4Å; E481-S484 WeakPolarHBondContact O-CB 3.49Å; E481-S484 PolarHBondContact O-N 2.92Å; S484-F487 PolarHBondContact O-N 2.96Å; S484-S488 WeakPolarHBondContact O-CB 3.42Å; S484-S488 PolarHBondContact O-N 3.12Å
485	E	68.4	Low	64.3	Low	149 Å²	149	104.7 Å²	104.7	70%	0.696	53%	0.53	S	S	*	.	H	α-helix	trans	-66.5	-43	175.3	-165.3	170.8	-143.8	0	0	111.9	E481 S482 L483 S488 K489	E481-E485 PolarHBondContact O-N 3.43Å; S482-E485 PolarHBondContact O-N 3.39Å; L483-E485 VanDerWaalsContact C-N 3.35Å; E485-S488 PolarHBondContact O-N 3.41Å; E485-K489 VanDerWaalsContact O-CB 3.28Å; E485-K489 WeakPolarHBondContact O-CB 3.43Å; E485-K489 PolarHBondContact O-N 2.84Å
486	E	68.5	Low	65.7	Low	125 Å²	125	105.5 Å²	105.5	58%	0.584	53%	0.534	S	S	*	.	H	α-helix	trans	-63.7	-41.9	172.9	-75.1	-164.1	154.6	0	0	113	S482 L483 K489 A490	S482-E486 PolarHBondContact O-N 3.46Å; L483-E486 PolarHBondContact O-N 2.78Å; E486-K489 PolarHBondContact O-N 2.88Å; E486-A490 VanDerWaalsContact O-CB 3.26Å; E486-A490 WeakPolarHBondContact O-CB 3.45Å; E486-A490 PolarHBondContact O-N 3.16Å
487	F	68.9	Low	67.2	Low	151 Å²	151	105.3 Å²	105.3	66%	0.662	53%	0.531	S	S	*	.	H	α-helix	trans	-67.3	-38.2	176.4	-84.5	-59.4	0	0	0	112.1	L483 S484 R491	L483-F487 HydrophobicContact CB-CD2 4.38Å; L483-F487 HydrophobicContact CB-CE2 4.49Å; L483-F487 VanDerWaalsContact O-CB 3.29Å; L483-F487 WeakPolarHBondContact O-CB 3.43Å; L483-F487 WeakPolarHBondContact O-CD2 3.35Å; L483-F487 WeakPolarHBondContact O-CG 3.4Å; L483-F487 PolarHBondContact O-N 2.69Å; S484-F487 PolarHBondContact O-N 2.96Å; F487-R491 VanDerWaalsContact O-CB 3.23Å; F487-R491 WeakPolarHBondContact O-CB 3.43Å; F487-R491 PolarHBondContact O-N 3.14Å
488	S	73.5	Confident	69	Low	61 Å²	61	103.8 Å²	103.8	43%	0.427	52%	0.523	S	S	.	.	H	α-helix	trans	-63.7	-47.9	174	-164.5	0	0	0	0	110.4	S484 E485 A490 R491 D492	S484-S488 WeakPolarHBondContact O-CB 3.42Å; S484-S488 PolarHBondContact O-N 3.12Å; E485-S488 PolarHBondContact O-N 3.41Å; S488-A490 PolarHBondContact O-N 3.34Å; S488-R491 WeakPolarHBondContact O-CB 3.21Å; S488-R491 PolarHBondContact O-N 3.12Å; S488-D492 PolarHBondContact O-N 3.38Å
489	K	80.2	Confident	70.9	Confident	134 Å²	134	105.6 Å²	105.6	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-62	-42	177.6	-174.1	178	177.8	-177	0	112.6	E485 E486 D492 E493	E485-K489 VanDerWaalsContact O-CB 3.28Å; E485-K489 WeakPolarHBondContact O-CB 3.43Å; E485-K489 PolarHBondContact O-N 2.84Å; E486-K489 PolarHBondContact O-N 2.88Å; K489-D492 PolarHBondContact O-N 3Å; K489-E493 PolarHBondContact O-N 3Å
490	A	75	Confident	72.4	Confident	45 Å²	45	108.7 Å²	108.7	37%	0.372	53%	0.529	S	S	.	.	H	α-helix	trans	-65.6	-38.6	175.5	0	0	0	0	0	112.1	E486 S488 E493 I494	E486-A490 VanDerWaalsContact O-CB 3.26Å; E486-A490 WeakPolarHBondContact O-CB 3.45Å; E486-A490 PolarHBondContact O-N 3.16Å; S488-A490 PolarHBondContact O-N 3.34Å; A490-E493 PolarHBondContact O-N 2.99Å; A490-I494 WeakPolarHBondContact O-CB 3.48Å; A490-I494 WeakPolarHBondContact O-CD1 3.26Å; A490-I494 WeakPolarHBondContact O-CG1 3.2Å; A490-I494 PolarHBondContact O-N 3.26Å
491	R	76.9	Confident	74.1	Confident	183 Å²	183	106.6 Å²	106.6	69%	0.691	53%	0.526	S	S	*	.	H	α-helix	trans	-61.9	-43.3	172.3	168.1	179.7	168.9	165.2	-3.2	111.4	F487 S488 I494 A495	F487-R491 VanDerWaalsContact O-CB 3.23Å; F487-R491 WeakPolarHBondContact O-CB 3.43Å; F487-R491 PolarHBondContact O-N 3.14Å; S488-R491 WeakPolarHBondContact O-CB 3.21Å; S488-R491 PolarHBondContact O-N 3.12Å; R491-I494 PolarHBondContact O-N 2.87Å; R491-A495 WeakPolarHBondContact O-CB 3.44Å; R491-A495 PolarHBondContact O-N 3.01Å
492	D	84.3	Confident	75.6	Confident	96 Å²	96	103.8 Å²	103.8	51%	0.513	51%	0.513	S	S	.	.	H	α-helix	trans	-68.9	-40.2	178.3	-68	-28.6	0	0	0	111.8	S488 K489 I494 A495 E496	S488-D492 PolarHBondContact O-N 3.38Å; K489-D492 PolarHBondContact O-N 3Å; D492-I494 VanDerWaalsContact C-N 3.32Å; D492-I494 PolarHBondContact O-N 3.31Å; D492-A495 PolarHBondContact O-N 3.47Å; D492-E496 WeakPolarHBondContact O-CB 3.42Å; D492-E496 PolarHBondContact O-N 3.18Å
493	E	81	Confident	76.9	Confident	93 Å²	93	102.8 Å²	102.8	44%	0.435	51%	0.513	S	S	.	.	H	α-helix	trans	-62.6	-35.8	172	-79.2	-170.6	-150.8	0	0	113	K489 A490 K497	K489-E493 PolarHBondContact O-N 3Å; A490-E493 PolarHBondContact O-N 2.99Å; E493-K497 WeakPolarHBondContact O-CB 3.35Å; E493-K497 WeakPolarHBondContact O-CG 3.45Å; E493-K497 PolarHBondContact O-N 2.87Å
494	I	81.6	Confident	78.2	Confident	113 Å²	113	104.7 Å²	104.7	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-68.3	-45.8	174	-72.3	164.9	0	0	0	110.3	A490 R491 D492 E496 K497 Q498	A490-I494 WeakPolarHBondContact O-CB 3.48Å; A490-I494 WeakPolarHBondContact O-CD1 3.26Å; A490-I494 WeakPolarHBondContact O-CG1 3.2Å; A490-I494 PolarHBondContact O-N 3.26Å; R491-I494 PolarHBondContact O-N 2.87Å; D492-I494 VanDerWaalsContact C-N 3.32Å; D492-I494 PolarHBondContact O-N 3.31Å; I494-E496 VanDerWaalsContact C-N 3.33Å; I494-E496 PolarHBondContact O-N 3.06Å; I494-K497 PolarHBondContact O-N 2.8Å; I494-Q498 WeakPolarHBondContact O-CB 3.32Å; I494-Q498 PolarHBondContact O-N 2.71Å
495	A	82.1	Confident	78.8	Confident	53 Å²	53	105.9 Å²	105.9	44%	0.438	52%	0.523	S	S	.	.	H	α-helix	trans	-62.5	-39.3	177	0	0	0	0	0	112	R491 D492 Q498 K499	R491-A495 WeakPolarHBondContact O-CB 3.44Å; R491-A495 PolarHBondContact O-N 3.01Å; D492-A495 PolarHBondContact O-N 3.47Å; A495-Q498 PolarHBondContact O-N 2.71Å; A495-K499 WeakPolarHBondContact O-CB 3.46Å; A495-K499 PolarHBondContact O-N 3Å
496	E	82.8	Confident	79.4	Confident	95 Å²	95	103.6 Å²	103.6	44%	0.444	51%	0.513	S	S	.	.	H	α-helix	trans	-69.8	-39.3	176.5	-152.9	-153.4	176.5	0	0	111.9	D492 I494 K499 R500	D492-E496 WeakPolarHBondContact O-CB 3.42Å; D492-E496 PolarHBondContact O-N 3.18Å; I494-E496 VanDerWaalsContact C-N 3.33Å; I494-E496 PolarHBondContact O-N 3.06Å; E496-K499 PolarHBondContact O-N 3.06Å; E496-R500 WeakPolarHBondContact O-CG 3.37Å; E496-R500 PolarHBondContact O-N 2.94Å; E496-R500 IonicContact OE1-CZ 3.64Å; E496-R500 VanDerWaalsContact OE1-CZ 3.31Å; E496-R500 IonicContact OE1-NE 2.72Å; E496-R500 IonicContact OE1-NH1 2.7Å; E496-R500 IonicContact OE1-NH2 3.06Å; E496-R500 PolarHBondContact OE1-NH2 3.28Å; E496-R500 IonicContact OE2-CZ 2.65Å; E496-R500 IonicContact OE2-NH1 3.31Å; E496-R500 PolarHBondContact OE2-NH1 2.93Å; E496-R500 IonicContact OE2-NH2 3.6Å; E496-R500 PolarHBondContact OE2-NH2 2.9Å
497	K	80.4	Confident	79.9	Confident	121 Å²	121	102.5 Å²	102.5	53%	0.526	51%	0.51	S	S	.	.	H	α-helix	trans	-60.5	-44.1	170.5	-81.6	169.4	-179.5	153.8	0	111.7	E493 I494 R500 T501	E493-K497 WeakPolarHBondContact O-CB 3.35Å; E493-K497 WeakPolarHBondContact O-CG 3.45Å; E493-K497 PolarHBondContact O-N 2.87Å; I494-K497 PolarHBondContact O-N 2.8Å; K497-R500 WeakPolarHBondContact O-CB 3.38Å; K497-R500 PolarHBondContact O-N 3.43Å; K497-T501 PolarHBondContact O-N 3.46Å; K497-T501 PolarHBondContact O-OG1 3.03Å
498	Q	80.8	Confident	80.2	Confident	104 Å²	104	100 Å²	100	49%	0.486	50%	0.503	S	S	.	.	H	α-helix	trans	-60.6	-48.1	177	-178.4	173.6	-24.7	0	0	111.1	I494 A495 R500 T501 E502	I494-Q498 WeakPolarHBondContact O-CB 3.32Å; I494-Q498 PolarHBondContact O-N 2.71Å; A495-Q498 PolarHBondContact O-N 2.71Å; Q498-R500 VanDerWaalsContact C-N 3.29Å; Q498-R500 PolarHBondContact O-N 3.49Å; Q498-T501 WeakPolarHBondContact CA-OG1 3.31Å; Q498-T501 PolarHBondContact O-N 3.41Å; Q498-T501 PolarHBondContact O-OG1 3.24Å; Q498-E502 HydrophobicContact CG-CG 4.4Å; Q498-E502 WeakPolarHBondContact CG-OE1 3.3Å; Q498-E502 PolarHBondContact NE2-OE1 3.39Å; Q498-E502 WeakPolarHBondContact O-CG 3.5Å; Q498-E502 PolarHBondContact O-N 2.96Å
499	K	84.9	Confident	80.5	Confident	157 Å²	157	104.6 Å²	104.6	68%	0.683	51%	0.512	S	S	*	.	H	α-helix	trans	-58.8	-37.3	176	-173.7	176.7	-179.5	179.8	0	112.8	A495 E496 G503	A495-K499 WeakPolarHBondContact O-CB 3.46Å; A495-K499 PolarHBondContact O-N 3Å; E496-K499 PolarHBondContact O-N 3.06Å; K499-G503 PolarHBondContact O-N 3.16Å
500	R	80.3	Confident	80.4	Confident	131 Å²	131	102.5 Å²	102.5	49%	0.494	51%	0.505	S	S	.	.	H	α-helix	trans	-65.3	-43.5	172.2	-71.5	172.3	-177	133.4	-4	111.7	E496 K497 Q498 G503 I504	E496-R500 WeakPolarHBondContact O-CG 3.37Å; E496-R500 PolarHBondContact O-N 2.94Å; E496-R500 IonicContact OE1-CZ 3.64Å; E496-R500 VanDerWaalsContact OE1-CZ 3.31Å; E496-R500 IonicContact OE1-NE 2.72Å; E496-R500 IonicContact OE1-NH1 2.7Å; E496-R500 IonicContact OE1-NH2 3.06Å; E496-R500 PolarHBondContact OE1-NH2 3.28Å; E496-R500 IonicContact OE2-CZ 2.65Å; E496-R500 IonicContact OE2-NH1 3.31Å; E496-R500 PolarHBondContact OE2-NH1 2.93Å; E496-R500 IonicContact OE2-NH2 3.6Å; E496-R500 PolarHBondContact OE2-NH2 2.9Å; K497-R500 WeakPolarHBondContact O-CB 3.38Å; K497-R500 PolarHBondContact O-N 3.43Å; Q498-R500 VanDerWaalsContact C-N 3.29Å; Q498-R500 PolarHBondContact O-N 3.49Å; R500-G503 PolarHBondContact O-N 3.03Å; R500-I504 VanDerWaalsContact O-CG1 3.3Å; R500-I504 WeakPolarHBondContact O-CG1 3.45Å; R500-I504 PolarHBondContact O-N 3.1Å
501	T	79	Confident	80.4	Confident	78 Å²	78	104.6 Å²	104.6	48%	0.479	51%	0.509	S	S	.	.	H	α-helix	trans	-67.7	-35.9	177.2	48.5	0	0	0	0	113.3	K497 Q498 I504 L505	K497-T501 PolarHBondContact O-N 3.46Å; K497-T501 PolarHBondContact O-OG1 3.03Å; Q498-T501 WeakPolarHBondContact CA-OG1 3.31Å; Q498-T501 PolarHBondContact O-N 3.41Å; Q498-T501 PolarHBondContact O-OG1 3.24Å; T501-I504 PolarHBondContact O-N 3.18Å; T501-L505 WeakPolarHBondContact O-CG 3.29Å; T501-L505 PolarHBondContact O-N 3.21Å
502	E	81.7	Confident	80.3	Confident	100 Å²	100	99.1 Å²	99.1	47%	0.467	49%	0.493	S	S	.	.	H	α-helix	trans	-65.5	-42.7	173.4	-72.1	168.7	-178.2	0	0	111.1	Q498 I504 L505 E506	Q498-E502 HydrophobicContact CG-CG 4.4Å; Q498-E502 WeakPolarHBondContact CG-OE1 3.3Å; Q498-E502 PolarHBondContact NE2-OE1 3.39Å; Q498-E502 WeakPolarHBondContact O-CG 3.5Å; Q498-E502 PolarHBondContact O-N 2.96Å; E502-I504 VanDerWaalsContact C-N 3.33Å; E502-I504 PolarHBondContact O-N 2.98Å; E502-L505 PolarHBondContact O-N 2.98Å; E502-E506 PolarHBondContact O-N 3.17Å
503	G	83.2	Confident	79.8	Confident	42 Å²	42	99.3 Å²	99.3	43%	0.433	49%	0.494	S	S	.	.	H	α-helix	trans	-62.9	-35.1	173.2	0	0	0	0	0	113.9	K499 R500 L507	K499-G503 PolarHBondContact O-N 3.16Å; R500-G503 PolarHBondContact O-N 3.03Å; G503-L507 WeakPolarHBondContact O-CB 3.44Å; G503-L507 PolarHBondContact O-N 3.02Å
504	I	81.3	Confident	79.4	Confident	102 Å²	102	101.1 Å²	101.1	52%	0.523	50%	0.501	S	S	.	.	H	α-helix	trans	-69.3	-41.6	173.5	-69.6	163.4	0	0	0	111	R500 T501 E502 L507 L508	R500-I504 VanDerWaalsContact O-CG1 3.3Å; R500-I504 WeakPolarHBondContact O-CG1 3.45Å; R500-I504 PolarHBondContact O-N 3.1Å; T501-I504 PolarHBondContact O-N 3.18Å; E502-I504 VanDerWaalsContact C-N 3.33Å; E502-I504 PolarHBondContact O-N 2.98Å; I504-L507 PolarHBondContact O-N 2.89Å; I504-L508 HydrophobicContact CG2-CD1 4.03Å; I504-L508 VanDerWaalsContact O-CG 3.29Å; I504-L508 WeakPolarHBondContact O-CG 3.48Å; I504-L508 PolarHBondContact O-N 3.18Å
505	L	79.2	Confident	78.6	Confident	91 Å²	91	98.6 Å²	98.6	48%	0.476	48%	0.484	S	S	.	.	H	α-helix	trans	-62.2	-45.7	175.8	-78.9	164.3	0	0	0	111.8	T501 E502 L507 L508 Y509	T501-L505 WeakPolarHBondContact O-CG 3.29Å; T501-L505 PolarHBondContact O-N 3.21Å; E502-L505 PolarHBondContact O-N 2.98Å; L505-L507 VanDerWaalsContact C-N 3.34Å; L505-L507 PolarHBondContact O-N 3.29Å; L505-L508 WeakPolarHBondContact O-CB 3.3Å; L505-L508 PolarHBondContact O-N 3.36Å; L505-L508 VanDerWaalsContact O-N 3.17Å; L505-Y509 WeakPolarHBondContact O-CD2 3.34Å; L505-Y509 PolarHBondContact O-N 3.47Å
506	E	82.2	Confident	77.9	Confident	101 Å²	101	100.4 Å²	100.4	47%	0.472	49%	0.486	S	S	.	.	H	α-helix	trans	-59.7	-43.6	175.1	179.4	56.1	-153.2	0	0	111.7	E502 L508 Y509 Q510	E502-E506 PolarHBondContact O-N 3.17Å; E506-L508 VanDerWaalsContact C-N 3.32Å; E506-L508 PolarHBondContact O-N 2.89Å; E506-Y509 PolarHBondContact O-N 2.86Å; E506-Q510 WeakPolarHBondContact O-CG 3.26Å; E506-Q510 PolarHBondContact O-N 2.75Å; E506-Q510 PolarHBondContact OE1-NE2 3.46Å
507	L	78.5	Confident	77.2	Confident	102 Å²	102	99.1 Å²	99.1	53%	0.534	49%	0.485	S	S	.	.	H	α-helix	trans	-60.8	-41.1	174.8	-161.9	82.9	0	0	0	111.9	G503 I504 L505 Q510 L511	G503-L507 WeakPolarHBondContact O-CB 3.44Å; G503-L507 PolarHBondContact O-N 3.02Å; I504-L507 PolarHBondContact O-N 2.89Å; L505-L507 VanDerWaalsContact C-N 3.34Å; L505-L507 PolarHBondContact O-N 3.29Å; L507-Q510 PolarHBondContact O-N 3.15Å; L507-L511 HydrophobicContact CD2-CD1 4.43Å; L507-L511 HydrophobicContact CG-CD1 4.29Å; L507-L511 WeakPolarHBondContact O-CB 3.42Å; L507-L511 VanDerWaalsContact O-CG 3.26Å; L507-L511 WeakPolarHBondContact O-CG 3.31Å; L507-L511 PolarHBondContact O-N 3.22Å
508	L	75.4	Confident	76.2	Confident	99 Å²	99	95.1 Å²	95.1	52%	0.518	47%	0.467	S	S	.	.	H	α-helix	trans	-65.8	-39	176.4	-72.7	167.9	0	0	0	112.2	I504 L505 E506 L511 N512	I504-L508 HydrophobicContact CG2-CD1 4.03Å; I504-L508 VanDerWaalsContact O-CG 3.29Å; I504-L508 WeakPolarHBondContact O-CG 3.48Å; I504-L508 PolarHBondContact O-N 3.18Å; L505-L508 WeakPolarHBondContact O-CB 3.3Å; L505-L508 PolarHBondContact O-N 3.36Å; L505-L508 VanDerWaalsContact O-N 3.17Å; E506-L508 VanDerWaalsContact C-N 3.32Å; E506-L508 PolarHBondContact O-N 2.89Å; L508-L511 PolarHBondContact O-N 3.24Å; L508-N512 WeakPolarHBondContact O-CB 3.46Å; L508-N512 PolarHBondContact O-N 2.91Å
509	Y	78.7	Confident	75	Confident	157 Å²	157	95.3 Å²	95.3	62%	0.616	46%	0.464	S	S	*	.	H	α-helix	trans	-63.9	-45.8	173.4	-76	-61.9	0	0	0	111.7	L505 E506 L511 N512 D513	L505-Y509 WeakPolarHBondContact O-CD2 3.34Å; L505-Y509 PolarHBondContact O-N 3.47Å; E506-Y509 PolarHBondContact O-N 2.86Å; Y509-L511 VanDerWaalsContact C-N 3.34Å; Y509-L511 PolarHBondContact O-N 3.04Å; Y509-N512 PolarHBondContact O-N 3.45Å; Y509-D513 PolarHBondContact O-N 3.44Å
510	Q	79.5	Confident	74.1	Confident	90 Å²	90	94 Å²	94	42%	0.421	46%	0.458	S	S	.	.	H	α-helix	trans	-64.5	-35.7	177.3	-68.7	-178.8	20.3	0	0	113	E506 L507 K514	E506-Q510 WeakPolarHBondContact O-CG 3.26Å; E506-Q510 PolarHBondContact O-N 2.75Å; E506-Q510 PolarHBondContact OE1-NE2 3.46Å; L507-Q510 PolarHBondContact O-N 3.15Å; Q510-K514 WeakPolarHBondContact O-CB 3.49Å; Q510-K514 WeakPolarHBondContact O-CD 3.29Å; Q510-K514 VanDerWaalsContact O-CG 3.29Å; Q510-K514 WeakPolarHBondContact O-CG 3.22Å; Q510-K514 PolarHBondContact O-N 2.72Å
511	L	73.8	Confident	73.4	Confident	89 Å²	89	91.3 Å²	91.3	47%	0.466	45%	0.453	S	S	.	.	H	α-helix	trans	-67.9	-38.8	172.6	-74.1	167.5	0	0	0	111.6	L507 L508 Y509 K514 R515	L507-L511 HydrophobicContact CD2-CD1 4.43Å; L507-L511 HydrophobicContact CG-CD1 4.29Å; L507-L511 WeakPolarHBondContact O-CB 3.42Å; L507-L511 VanDerWaalsContact O-CG 3.26Å; L507-L511 WeakPolarHBondContact O-CG 3.31Å; L507-L511 PolarHBondContact O-N 3.22Å; L508-L511 PolarHBondContact O-N 3.24Å; Y509-L511 VanDerWaalsContact C-N 3.34Å; Y509-L511 PolarHBondContact O-N 3.04Å; L511-K514 PolarHBondContact O-N 3.48Å; L511-R515 WeakPolarHBondContact O-CB 3.29Å; L511-R515 PolarHBondContact O-N 3.09Å
512	N	75	Confident	72.2	Confident	67 Å²	67	94.1 Å²	94.1	36%	0.358	46%	0.455	S	S	.	.	H	α-helix	trans	-69.3	-35.5	178.7	-173.5	61.7	0	0	0	113.1	L508 Y509 R515 L516	L508-N512 WeakPolarHBondContact O-CB 3.46Å; L508-N512 PolarHBondContact O-N 2.91Å; Y509-N512 PolarHBondContact O-N 3.45Å; N512-R515 WeakPolarHBondContact O-CB 3.2Å; N512-R515 PolarHBondContact O-N 2.92Å; N512-R515 PolarHBondContact OD1-NE 3.04Å; N512-R515 VanDerWaalsContact OD1-NE 3.15Å; N512-R515 PolarHBondContact OD1-NH2 2.91Å; N512-L516 PolarHBondContact O-N 3.34Å
513	D	73.9	Confident	71.1	Confident	100 Å²	100	95.7 Å²	95.7	54%	0.535	46%	0.462	S	S	.	.	H	α-helix	trans	-70.3	-39.6	174.3	-172.2	58.8	0	0	0	112.1	Y509 R515 L516 T517	Y509-D513 PolarHBondContact O-N 3.44Å; D513-R515 VanDerWaalsContact C-N 3.34Å; D513-R515 PolarHBondContact O-N 3.33Å; D513-L516 PolarHBondContact O-N 3.44Å; D513-L516 VanDerWaalsContact O-N 3.12Å; D513-T517 PolarHBondContact O-N 2.83Å; D513-T517 PolarHBondContact O-OG1 2.99Å
514	K	72.9	Confident	70.2	Confident	132 Å²	132	100.5 Å²	100.5	57%	0.574	47%	0.471	S	S	*	.	H	α-helix	trans	-61.2	-40.1	170.5	-73.4	171.1	-176.7	171.4	0	112.2	Q510 L511 T517 F518	Q510-K514 WeakPolarHBondContact O-CB 3.49Å; Q510-K514 WeakPolarHBondContact O-CD 3.29Å; Q510-K514 VanDerWaalsContact O-CG 3.29Å; Q510-K514 WeakPolarHBondContact O-CG 3.22Å; Q510-K514 PolarHBondContact O-N 2.72Å; L511-K514 PolarHBondContact O-N 3.48Å; K514-T517 WeakPolarHBondContact CA-OG1 3.46Å; K514-T517 PolarHBondContact O-OG1 2.65Å; K514-T517 VanDerWaalsContact O-OG1 3.12Å; K514-F518 WeakPolarHBondContact O-CB 3.36Å; K514-F518 PolarHBondContact O-N 2.96Å
515	R	64.3	Low	69.2	Low	60 Å²	60	98.9 Å²	98.9	23%	0.226	46%	0.463	C	S	.	.	H	α-helix	trans	-56.9	-49	169.4	167.1	171	78.6	157.4	-9.7	111.1	L511 N512 D513 T517 F518 W519 S595 N596 D598	L511-R515 WeakPolarHBondContact O-CB 3.29Å; L511-R515 PolarHBondContact O-N 3.09Å; N512-R515 WeakPolarHBondContact O-CB 3.2Å; N512-R515 PolarHBondContact O-N 2.92Å; N512-R515 PolarHBondContact OD1-NE 3.04Å; N512-R515 VanDerWaalsContact OD1-NE 3.15Å; N512-R515 PolarHBondContact OD1-NH2 2.91Å; D513-R515 VanDerWaalsContact C-N 3.34Å; D513-R515 PolarHBondContact O-N 3.33Å; R515-T517 PolarHBondContact O-N 2.82Å; R515-F518 WeakPolarHBondContact O-CB 3.39Å; R515-F518 PolarHBondContact O-N 3.21Å; R515-W519 PolarHBondContact O-N 3.07Å; R515-S595 WeakPolarHBondContact CD-O 3.49Å; R515-S595 VanDerWaalsContact CG-O 3.32Å; R515-S595 WeakPolarHBondContact CG-O 3.41Å; R515-N596 PolarHBondContact NH1-ND2 2.89Å; R515-D598 IonicContact CZ-OD2 3.83Å; R515-D598 IonicContact NH1-OD2 3.88Å; R515-D598 PolarHBondContact NH1-OD2 3.24Å
516	L	67.5	Low	67.7	Low	91 Å²	91	95.9 Å²	95.9	48%	0.476	45%	0.449	S	S	.	.	H	α-helix	trans	-69.8	-33.4	-173.7	-160.5	73.7	0	0	0	112.8	N512 D513	N512-L516 PolarHBondContact O-N 3.34Å; D513-L516 PolarHBondContact O-N 3.44Å; D513-L516 VanDerWaalsContact O-N 3.12Å
517	T	69.2	Low	66.7	Low	68 Å²	68	94.2 Å²	94.2	42%	0.417	45%	0.449	S	S	.	.	H	α-helix	trans	-70.4	-38.9	171	35.6	0	0	0	0	112.1	D513 K514 R515 K520 I521	D513-T517 PolarHBondContact O-N 2.83Å; D513-T517 PolarHBondContact O-OG1 2.99Å; K514-T517 WeakPolarHBondContact CA-OG1 3.46Å; K514-T517 PolarHBondContact O-OG1 2.65Å; K514-T517 VanDerWaalsContact O-OG1 3.12Å; R515-T517 PolarHBondContact O-N 2.82Å; T517-K520 PolarHBondContact O-N 2.87Å; T517-I521 PolarHBondContact O-N 3.17Å
518	F	59.9	Low	66	Low	37 Å²	37	92.6 Å²	92.6	16%	0.162	44%	0.443	C	S	.	.	H	α-helix	trans	-59.2	-48.2	174.1	-166.4	-74.8	0	0	0	112.2	K514 R515 K520 I521 W522 H591 F593 I594	K514-F518 WeakPolarHBondContact O-CB 3.36Å; K514-F518 PolarHBondContact O-N 2.96Å; R515-F518 WeakPolarHBondContact O-CB 3.39Å; R515-F518 PolarHBondContact O-N 3.21Å; F518-K520 VanDerWaalsContact C-N 3.3Å; F518-K520 PolarHBondContact O-N 3.1Å; F518-I521 WeakPolarHBondContact O-CB 3.44Å; F518-I521 PolarHBondContact O-N 3.45Å; F518-W522 HydrophobicContact CD1-CB 4.48Å; F518-W522 HydrophobicContact CE1-CB 4.14Å; F518-W522 PolarHBondContact O-N 2.85Å; F518-H591 WeakPolarHBondContact CE2-O 3.48Å; F518-F593 VanDerWaalsContact CD2-O 3.24Å; F518-F593 WeakPolarHBondContact CD2-O 3.42Å; F518-F593 VanDerWaalsContact CE2-O 3.27Å; F518-F593 WeakPolarHBondContact CE2-O 3.41Å; F518-I594 HydrophobicContact CD1-CG1 4.23Å; F518-I594 HydrophobicContact CE1-CB 4.4Å; F518-I594 HydrophobicContact CE1-CD1 4.38Å; F518-I594 HydrophobicContact CE1-CG1 3.43Å; F518-I594 VanDerWaalsContact CE1-CG1 3.43Å; F518-I594 HydrophobicContact CE2-CG1 4.26Å; F518-I594 HydrophobicContact CZ-CD1 4.39Å; F518-I594 HydrophobicContact CZ-CG1 3.45Å; F518-I594 VanDerWaalsContact CZ-CG1 3.45Å
519	W	55.4	Low	65	Low	108 Å²	108	92.1 Å²	92.1	41%	0.409	44%	0.441	S	S	.	.	H	α-helix	trans	-55.9	-41.7	-178.6	-92.6	102.1	0	0	0	113	R515 I521 W522 E523 L597	R515-W519 PolarHBondContact O-N 3.07Å; W519-I521 VanDerWaalsContact C-N 3.32Å; W519-I521 PolarHBondContact O-N 2.79Å; W519-W522 HydrophobicContact CZ3-CE3 4.26Å; W519-W522 HydrophobicContact CZ3-CZ3 4.5Å; W519-W522 PolarHBondContact O-N 3.11Å; W519-E523 WeakPolarHBondContact O-CB 3.21Å; W519-E523 PolarHBondContact O-N 2.87Å; W519-L597 HydrophobicContact CH2-CD1 4.44Å; W519-L597 HydrophobicContact CZ2-CD1 4.16Å
520	K	65.5	Low	64.1	Low	129 Å²	129	89.6 Å²	89.6	56%	0.561	44%	0.437	S	S	*	.	H	α-helix	trans	-63.7	-34	176.9	-69.1	173.5	-179.9	176.6	0	113.2	T517 F518 F524	T517-K520 PolarHBondContact O-N 2.87Å; F518-K520 VanDerWaalsContact C-N 3.3Å; F518-K520 PolarHBondContact O-N 3.1Å; K520-F524 WeakPolarHBondContact O-CB 3.19Å; K520-F524 PolarHBondContact O-N 2.97Å; K520-F524 VanDerWaalsContact O-N 3.16Å
521	I	64.8	Low	63.4	Low	75 Å²	75	88.6 Å²	88.6	39%	0.385	44%	0.44	S	S	.	.	H	α-helix	trans	-71.5	-41.6	176.8	-63.7	167.9	0	0	0	109.9	T517 F518 W519 F524 I525	T517-I521 PolarHBondContact O-N 3.17Å; F518-I521 WeakPolarHBondContact O-CB 3.44Å; F518-I521 PolarHBondContact O-N 3.45Å; W519-I521 VanDerWaalsContact C-N 3.32Å; W519-I521 PolarHBondContact O-N 2.79Å; I521-F524 PolarHBondContact O-N 2.95Å; I521-I525 HydrophobicContact CG2-CD1 3.85Å; I521-I525 WeakPolarHBondContact O-CG1 3.29Å; I521-I525 PolarHBondContact O-N 3.36Å
522	W	55.5	Low	62.9	Low	136 Å²	136	89.3 Å²	89.3	52%	0.515	44%	0.441	S	S	.	.	H	α-helix	trans	-68.9	-37.6	178.3	-167.2	85.1	0	0	0	113	F518 W519 I525 S526	F518-W522 HydrophobicContact CD1-CB 4.48Å; F518-W522 HydrophobicContact CE1-CB 4.14Å; F518-W522 PolarHBondContact O-N 2.85Å; W519-W522 HydrophobicContact CZ3-CE3 4.26Å; W519-W522 HydrophobicContact CZ3-CZ3 4.5Å; W519-W522 PolarHBondContact O-N 3.11Å; W522-I525 PolarHBondContact O-N 2.91Å; W522-S526 VanDerWaalsContact O-CB 3.28Å; W522-S526 WeakPolarHBondContact O-CB 3.42Å; W522-S526 PolarHBondContact O-N 3.41Å; W522-S526 PolarHBondContact O-OG 2.8Å
523	E	56.8	Low	61.9	Low	133 Å²	133	94.2 Å²	94.2	62%	0.621	45%	0.454	S	S	*	.	H	α-helix	trans	-57.7	-48.3	170.5	-178.9	179.9	-163.9	0	0	111.1	W519 S526 S527	W519-E523 WeakPolarHBondContact O-CB 3.21Å; W519-E523 PolarHBondContact O-N 2.87Å; E523-S526 PolarHBondContact O-N 3.18Å; E523-S527 WeakPolarHBondContact O-CB 3.37Å; E523-S527 PolarHBondContact O-N 3.39Å
524	F	65.5	Low	61.2	Low	143 Å²	143	93.3 Å²	93.3	63%	0.627	45%	0.449	S	S	*	.	H	α-helix	trans	-62.2	-48.4	177.4	180	-99.7	0	0	0	112.6	K520 I521 S526 S527 V528	K520-F524 WeakPolarHBondContact O-CB 3.19Å; K520-F524 PolarHBondContact O-N 2.97Å; K520-F524 VanDerWaalsContact O-N 3.16Å; I521-F524 PolarHBondContact O-N 2.95Å; F524-S526 PolarHBondContact O-N 3.21Å; F524-S527 PolarHBondContact O-N 2.86Å; F524-V528 HydrophobicContact CD1-CG2 4.41Å; F524-V528 HydrophobicContact CE1-CG2 4.01Å; F524-V528 HydrophobicContact CE2-CG2 4.25Å; F524-V528 HydrophobicContact CZ-CG2 3.92Å; F524-V528 WeakPolarHBondContact O-CG2 3.45Å; F524-V528 PolarHBondContact O-N 3.31Å
525	I	59.1	Low	60.7	Low	69 Å²	69	89.3 Å²	89.3	35%	0.354	44%	0.441	S	S	.	.	H	α-helix	trans	-61.6	-44.2	178.6	-68.3	167.8	0	0	0	110.8	I521 W522 S527 V528 L529	I521-I525 HydrophobicContact CG2-CD1 3.85Å; I521-I525 WeakPolarHBondContact O-CG1 3.29Å; I521-I525 PolarHBondContact O-N 3.36Å; W522-I525 PolarHBondContact O-N 2.91Å; I525-S527 PolarHBondContact O-N 3.37Å; I525-V528 PolarHBondContact O-N 3.05Å; I525-L529 HydrophobicContact CG2-CD1 3.92Å; I525-L529 HydrophobicContact CG2-CG 4.47Å; I525-L529 WeakPolarHBondContact O-CG 3.35Å; I525-L529 PolarHBondContact O-N 3.48Å
526	S	48.9	Very low	60.4	Low	27 Å²	27	90.8 Å²	90.8	19%	0.189	45%	0.45	C	S	.	.	H	α-helix	trans	-62.4	-42.5	177	-60.2	0	0	0	0	111.5	W522 E523 F524 V528 L529 I530	W522-S526 VanDerWaalsContact O-CB 3.28Å; W522-S526 WeakPolarHBondContact O-CB 3.42Å; W522-S526 PolarHBondContact O-N 3.41Å; W522-S526 PolarHBondContact O-OG 2.8Å; E523-S526 PolarHBondContact O-N 3.18Å; F524-S526 PolarHBondContact O-N 3.21Å; S526-V528 PolarHBondContact O-N 3.22Å; S526-L529 PolarHBondContact O-N 3.36Å; S526-I530 WeakPolarHBondContact O-CB 3.47Å; S526-I530 WeakPolarHBondContact O-CD1 3.31Å; S526-I530 WeakPolarHBondContact O-CG1 3.46Å; S526-I530 PolarHBondContact O-N 3.43Å
527	S	60.8	Low	59.6	Low	66 Å²	66	92 Å²	92	46%	0.462	45%	0.454	S	S	.	.	H	α-helix	trans	-62.1	-42.4	175.4	-171.2	0	0	0	0	112.1	E523 F524 I525 I530 S531	E523-S527 WeakPolarHBondContact O-CB 3.37Å; E523-S527 PolarHBondContact O-N 3.39Å; F524-S527 PolarHBondContact O-N 2.86Å; I525-S527 PolarHBondContact O-N 3.37Å; S527-I530 PolarHBondContact O-N 3.26Å; S527-S531 WeakPolarHBondContact O-CB 3.27Å; S527-S531 PolarHBondContact O-N 2.99Å; S527-S531 PolarHBondContact O-OG 3.07Å; S527-S531 VanDerWaalsContact O-OG 3.08Å
528	V	63.5	Low	58.8	Low	68 Å²	68	94.7 Å²	94.7	41%	0.412	46%	0.462	S	S	.	.	H	α-helix	trans	-65.2	-45.6	178.2	171.1	0	0	0	0	111.2	F524 I525 S526 I530 S531 E532	F524-V528 HydrophobicContact CD1-CG2 4.41Å; F524-V528 HydrophobicContact CE1-CG2 4.01Å; F524-V528 HydrophobicContact CE2-CG2 4.25Å; F524-V528 HydrophobicContact CZ-CG2 3.92Å; F524-V528 WeakPolarHBondContact O-CG2 3.45Å; F524-V528 PolarHBondContact O-N 3.31Å; I525-V528 PolarHBondContact O-N 3.05Å; S526-V528 PolarHBondContact O-N 3.22Å; V528-I530 VanDerWaalsContact C-N 3.33Å; V528-I530 PolarHBondContact O-N 2.92Å; V528-S531 PolarHBondContact O-N 3.06Å; V528-E532 WeakPolarHBondContact O-CB 3.5Å; V528-E532 PolarHBondContact O-N 3.1Å
529	L	55.5	Low	58.1	Low	90 Å²	90	98.6 Å²	98.6	47%	0.471	48%	0.482	S	S	.	.	H	α-helix	trans	-64.5	-36.4	177.6	-71.9	170.2	0	0	0	112.5	I525 S526 R533	I525-L529 HydrophobicContact CG2-CD1 3.92Å; I525-L529 HydrophobicContact CG2-CG 4.47Å; I525-L529 WeakPolarHBondContact O-CG 3.35Å; I525-L529 PolarHBondContact O-N 3.48Å; S526-L529 PolarHBondContact O-N 3.36Å; L529-R533 WeakPolarHBondContact O-CB 3.48Å; L529-R533 WeakPolarHBondContact O-CG 3.46Å; L529-R533 PolarHBondContact O-N 2.82Å
530	I	59	Low	57.7	Low	104 Å²	104	98.3 Å²	98.3	53%	0.533	50%	0.497	S	S	.	.	H	α-helix	trans	-66.3	-44.7	172.8	-70.6	165.5	0	0	0	110.2	S526 S527 V528 E532 R533 L534	S526-I530 WeakPolarHBondContact O-CB 3.47Å; S526-I530 WeakPolarHBondContact O-CD1 3.31Å; S526-I530 WeakPolarHBondContact O-CG1 3.46Å; S526-I530 PolarHBondContact O-N 3.43Å; S527-I530 PolarHBondContact O-N 3.26Å; V528-I530 VanDerWaalsContact C-N 3.33Å; V528-I530 PolarHBondContact O-N 2.92Å; I530-E532 PolarHBondContact O-N 2.92Å; I530-R533 PolarHBondContact O-N 3.48Å; I530-L534 HydrophobicContact CG2-CD1 3.8Å; I530-L534 HydrophobicContact CG2-CG 4.3Å; I530-L534 VanDerWaalsContact O-CB 3.3Å; I530-L534 WeakPolarHBondContact O-CB 3.49Å; I530-L534 VanDerWaalsContact O-CG 3.23Å; I530-L534 WeakPolarHBondContact O-CG 3.48Å; I530-L534 PolarHBondContact O-N 3.37Å
531	S	63.9	Low	56.6	Low	69 Å²	69	97.6 Å²	97.6	48%	0.483	50%	0.504	S	S	.	.	H	α-helix	trans	-62.6	-38.8	175.4	-65.6	0	0	0	0	112.9	S527 V528 A535	S527-S531 WeakPolarHBondContact O-CB 3.27Å; S527-S531 PolarHBondContact O-N 2.99Å; S527-S531 PolarHBondContact O-OG 3.07Å; S527-S531 VanDerWaalsContact O-OG 3.08Å; V528-S531 PolarHBondContact O-N 3.06Å; S531-A535 VanDerWaalsContact O-CB 3.27Å; S531-A535 WeakPolarHBondContact O-CB 3.37Å; S531-A535 PolarHBondContact O-N 2.96Å
532	E	63.4	Low	55.4	Low	104 Å²	104	97.6 Å²	97.6	49%	0.486	51%	0.51	S	S	.	.	H	α-helix	trans	-67	-46.7	177.3	-172.7	168.9	-136.7	0	0	111.3	V528 I530 A535 E536	V528-E532 WeakPolarHBondContact O-CB 3.5Å; V528-E532 PolarHBondContact O-N 3.1Å; I530-E532 PolarHBondContact O-N 2.92Å; E532-A535 PolarHBondContact O-N 3.45Å; E532-E536 WeakPolarHBondContact O-CG 3.29Å; E532-E536 PolarHBondContact O-N 2.89Å
533	R	55.7	Low	54.6	Low	170 Å²	170	99.6 Å²	99.6	64%	0.642	52%	0.523	S	S	*	.	H	α-helix	trans	-67.8	-34.1	175.3	-69.9	-54.4	-165.7	176.6	-2.1	113.5	L529 I530 E536 M537	L529-R533 WeakPolarHBondContact O-CB 3.48Å; L529-R533 WeakPolarHBondContact O-CG 3.46Å; L529-R533 PolarHBondContact O-N 2.82Å; I530-R533 PolarHBondContact O-N 3.48Å; R533-E536 WeakPolarHBondContact CD-OE2 3.35Å; R533-E536 IonicContact CZ-OE2 2.82Å; R533-E536 IonicContact NE-OE2 3.23Å; R533-E536 IonicContact NH1-OE1 3.49Å; R533-E536 IonicContact NH1-OE2 2.61Å; R533-E536 PolarHBondContact NH1-OE2 3.36Å; R533-M537 VanDerWaalsContact O-CB 3.29Å; R533-M537 WeakPolarHBondContact O-CB 3.29Å; R533-M537 PolarHBondContact O-N 3.5Å
534	L	59.1	Low	53.5	Low	81 Å²	81	97.7 Å²	97.7	42%	0.424	52%	0.524	S	S	.	.	H	α-helix	trans	-65.2	-44.2	170.8	-74.6	172.8	0	0	0	110.8	I530 M537 E538	I530-L534 HydrophobicContact CG2-CD1 3.8Å; I530-L534 HydrophobicContact CG2-CG 4.3Å; I530-L534 VanDerWaalsContact O-CB 3.3Å; I530-L534 WeakPolarHBondContact O-CB 3.49Å; I530-L534 VanDerWaalsContact O-CG 3.23Å; I530-L534 WeakPolarHBondContact O-CG 3.48Å; I530-L534 PolarHBondContact O-N 3.37Å; L534-M537 HydrophobicContact CD2-CE 4.07Å; L534-M537 PolarHBondContact O-N 3.43Å; L534-E538 WeakPolarHBondContact O-CB 3.43Å; L534-E538 WeakPolarHBondContact O-CG 3.36Å; L534-E538 PolarHBondContact O-N 2.82Å
535	A	62.6	Low	51.9	Low	48 Å²	48	99.2 Å²	99.2	40%	0.397	53%	0.533	S	S	.	.	H	α-helix	trans	-64.4	-39.4	177	0	0	0	0	0	112.7	S531 E532 M539	S531-A535 VanDerWaalsContact O-CB 3.27Å; S531-A535 WeakPolarHBondContact O-CB 3.37Å; S531-A535 PolarHBondContact O-N 2.96Å; E532-A535 PolarHBondContact O-N 3.45Å; A535-M539 WeakPolarHBondContact O-CB 3.28Å; A535-M539 WeakPolarHBondContact O-CG 3.47Å; A535-M539 PolarHBondContact O-N 3.04Å
536	E	57.4	Low	50.7	Low	90 Å²	90	101 Å²	101	42%	0.421	55%	0.552	S	S	.	*	H	α-helix	trans	-62.1	-42.8	171	-75.9	-177.5	157.6	0	0	112.2	E532 R533 M539 S540	E532-E536 WeakPolarHBondContact O-CG 3.29Å; E532-E536 PolarHBondContact O-N 2.89Å; R533-E536 WeakPolarHBondContact CD-OE2 3.35Å; R533-E536 IonicContact CZ-OE2 2.82Å; R533-E536 IonicContact NE-OE2 3.23Å; R533-E536 IonicContact NH1-OE1 3.49Å; R533-E536 IonicContact NH1-OE2 2.61Å; R533-E536 PolarHBondContact NH1-OE2 3.36Å; E536-M539 PolarHBondContact O-N 2.8Å; E536-S540 WeakPolarHBondContact O-CB 3.35Å; E536-S540 PolarHBondContact O-N 2.91Å; E536-S540 PolarHBondContact O-OG 2.89Å
537	M	51.2	Low	49.8	Very low	116 Å²	116	107.5 Å²	107.5	57%	0.571	58%	0.583	S	S	*	*	H	α-helix	trans	-69	-41.9	-179.8	-165.2	169.3	69.4	0	0	111.2	R533 L534 S540 T541	R533-M537 VanDerWaalsContact O-CB 3.29Å; R533-M537 WeakPolarHBondContact O-CB 3.29Å; R533-M537 PolarHBondContact O-N 3.5Å; L534-M537 HydrophobicContact CD2-CE 4.07Å; L534-M537 PolarHBondContact O-N 3.43Å; M537-S540 WeakPolarHBondContact O-CA 3.36Å; M537-S540 WeakPolarHBondContact O-CB 3.47Å; M537-S540 PolarHBondContact O-N 3.01Å; M537-S540 VanDerWaalsContact O-N 3.14Å; M537-T541 PolarHBondContact O-N 3.09Å; M537-T541 PolarHBondContact O-OG1 3.47Å
538	E	51.9	Low	48.6	Very low	125 Å²	125	109.6 Å²	109.6	58%	0.584	60%	0.596	S	S	*	*	H	α-helix	trans	-64.4	-40.7	172.7	-74.1	-178.5	169.6	0	0	111.9	L534 S540 T541 S542	L534-E538 WeakPolarHBondContact O-CB 3.43Å; L534-E538 WeakPolarHBondContact O-CG 3.36Å; L534-E538 PolarHBondContact O-N 2.82Å; E538-S540 PolarHBondContact O-N 2.94Å; E538-T541 WeakPolarHBondContact CA-OG1 3.37Å; E538-T541 PolarHBondContact O-N 3.08Å; E538-T541 VanDerWaalsContact O-N 3.14Å; E538-T541 PolarHBondContact O-OG1 3.28Å; E538-S542 WeakPolarHBondContact O-CB 3.32Å; E538-S542 PolarHBondContact O-N 3.47Å; E538-S542 PolarHBondContact O-OG 3.45Å
539	M	45.7	Very low	47	Very low	119 Å²	119	110.6 Å²	110.6	59%	0.586	61%	0.611	S	S	*	*	H	α-helix	trans	-66.5	-23.3	173.1	-76	-83.8	-91.3	0	0	113	A535 E536	A535-M539 WeakPolarHBondContact O-CB 3.28Å; A535-M539 WeakPolarHBondContact O-CG 3.47Å; A535-M539 PolarHBondContact O-N 3.04Å; E536-M539 PolarHBondContact O-N 2.8Å
540	S	45.1	Very low	45.7	Very low	102 Å²	102	113.5 Å²	113.5	71%	0.713	63%	0.626	S	S	*	*	H	α-helix	trans	-80.4	-26.1	172.3	-56.8	0	0	0	0	112.8	E536 M537 E538	E536-S540 WeakPolarHBondContact O-CB 3.35Å; E536-S540 PolarHBondContact O-N 2.91Å; E536-S540 PolarHBondContact O-OG 2.89Å; M537-S540 WeakPolarHBondContact O-CA 3.36Å; M537-S540 WeakPolarHBondContact O-CB 3.47Å; M537-S540 PolarHBondContact O-N 3.01Å; M537-S540 VanDerWaalsContact O-N 3.14Å; E538-S540 PolarHBondContact O-N 2.94Å
541	T	43.8	Very low	44.3	Very low	114 Å²	114	113.4 Å²	113.4	70%	0.699	63%	0.631	S	S	*	*	H	α-helix	trans	-103.6	-9.5	-178.1	56.2	0	0	0	0	115.1	M537 E538	M537-T541 PolarHBondContact O-N 3.09Å; M537-T541 PolarHBondContact O-OG1 3.47Å; E538-T541 WeakPolarHBondContact CA-OG1 3.37Å; E538-T541 PolarHBondContact O-N 3.08Å; E538-T541 VanDerWaalsContact O-N 3.14Å; E538-T541 PolarHBondContact O-OG1 3.28Å
542	S	38.3	Very low	42.7	Very low	75 Å²	75	118.3 Å²	118.3	52%	0.524	65%	0.646	S	S	.	*			trans	-106.1	3.6	-173.1	59.3	0	0	0	0	115.8	E538 S544	E538-S542 WeakPolarHBondContact O-CB 3.32Å; E538-S542 PolarHBondContact O-N 3.47Å; E538-S542 PolarHBondContact O-OG 3.45Å; S542-S544 PolarHBondContact O-N 3.26Å; S542-S544 VanDerWaalsContact O-N 3.14Å
543	K	39.2	Very low	41	Very low	179 Å²	179	119.1 Å²	119.1	78%	0.778	65%	0.653	S	S	*	*			trans	-89.1	53	175.3	-80.3	179.3	177.6	168.6	0	113.7
544	S	33.5	Very low	39.8	Very low	93 Å²	93	116.6 Å²	116.6	65%	0.65	65%	0.653	S	S	*	*	S	Bend	trans	-139.2	132.1	159.1	-168.9	0	0	0	0	109	S542	S542-S544 PolarHBondContact O-N 3.26Å; S542-S544 VanDerWaalsContact O-N 3.14Å
545	E	32	Very low	38.5	Very low	174 Å²	174	117.2 Å²	117.2	81%	0.813	66%	0.664	S	S	*	*	S	Bend	trans	66.6	95.2	168.3	-63.1	-177.7	122.5	0	0	120.1
546	S	33.7	Very low	37	Very low	107 Å²	107	121.8 Å²	121.8	75%	0.748	68%	0.682	S	S	*	*			trans	62	105	133.3	57.2	0	0	0	0	123
547	L	30	Very low	35.6	Very low	163 Å²	163	128 Å²	128	85%	0.853	70%	0.701	S	S	*	*				0.4	159	115.5	-69.2	165.1	0	0	0	119.2
548	P	36.6	Very low	34.6	Very low	111 Å²	111	126.2 Å²	126.2	72%	0.721	71%	0.705	S	S	*	*			cis	-140.7	170	-19.5	38.8	-20.9	0	0	0	116.3
549	A	28.9	Very low	33.6	Very low	88 Å²	88	126 Å²	126	73%	0.727	71%	0.713	S	S	*	*			trans	49.9	136.1	144.1	0	0	0	0	0	122.4
550	L	29.3	Very low	32.9	Very low	151 Å²	151	126.6 Å²	126.6	79%	0.791	72%	0.717	S	S	*	*				-174.2	108.1	115.9	-98.4	155	0	0	0	113
551	T	28.4	Very low	32.2	Very low	103 Å²	103	130.8 Å²	130.8	63%	0.632	72%	0.722	S	S	*	*			trans	45.3	153.3	134.2	59.1	0	0	0	0	124.1
552	Q	31.2	Very low	31.6	Very low	171 Å²	171	131.4 Å²	131.4	80%	0.799	73%	0.726	S	S	*	*			trans	74.7	150.7	151.3	-76.7	174.4	45.5	0	0	118.1
553	N	28.3	Very low	31.1	Very low	121 Å²	121	134.9 Å²	134.9	65%	0.647	74%	0.738	S	S	*	*			cis	-162.2	162.6	-34.4	-141.1	-10.2	0	0	0	111
554	N	29.9	Very low	30.7	Very low	118 Å²	118	132.1 Å²	132.1	63%	0.631	74%	0.736	S	S	*	*			trans	36.5	104.8	146.3	-72.5	-24.6	0	0	0	120.9
555	S	31.1	Very low	30.5	Very low	93 Å²	93	133.8 Å²	133.8	65%	0.65	74%	0.743	S	S	*	*				77.3	158.2	112.8	-56.3	0	0	0	0	121
556	N	31.2	Very low	30.5	Very low	145 Å²	145	131 Å²	131	78%	0.775	74%	0.742	S	S	*	*			trans	85.5	147.4	165.7	-53.8	-69.4	0	0	0	116.7
557	R	28	Very low	30.6	Very low	219 Å²	219	131.3 Å²	131.3	83%	0.826	74%	0.742	S	S	*	*			cis	-177.5	153.9	-20.5	174.4	173.6	172.3	-179.2	-2.4	107
558	A	31.6	Very low	30.9	Very low	80 Å²	80	129.8 Å²	129.8	66%	0.661	74%	0.741	S	S	*	*			trans	68.2	153.2	158.5	0	0	0	0	0	118.4
559	T	29.7	Very low	30.7	Very low	120 Å²	120	129.2 Å²	129.2	74%	0.736	74%	0.74	S	S	*	*			cis	-166	165.6	-42.2	3.6	0	0	0	0	110.3
560	I	31.8	Very low	31.1	Very low	132 Å²	132	131.3 Å²	131.3	68%	0.677	74%	0.744	S	S	*	*			trans	79.4	109.6	151.1	-71	153.6	0	0	0	118.4
561	K	29.1	Very low	31.3	Very low	189 Å²	189	130.2 Å²	130.2	82%	0.822	75%	0.746	S	S	*	*			trans	42.1	143	131.9	-43.4	177.7	-175.3	-179.4	0	118.9
562	V	30.9	Very low	31.4	Very low	128 Å²	128	132.2 Å²	132.2	78%	0.776	75%	0.753	S	S	*	*			cis	-143.8	157.7	22.4	-172.1	0	0	0	0	105.5
563	D	29.6	Very low	31.5	Very low	148 Å²	148	128.9 Å²	128.9	79%	0.791	75%	0.748	S	S	*	*			cis	-157.1	-179.6	43.2	-150	-19.1	0	0	0	112.8
564	V	30	Very low	31.7	Very low	121 Å²	121	129 Å²	129	73%	0.733	75%	0.749	S	S	*	*			trans	-99.8	118.7	-164	-179	0	0	0	0	114.6
565	T	29.6	Very low	31.7	Very low	128 Å²	128	130 Å²	130	79%	0.785	76%	0.755	S	S	*	*			trans	-134.4	132.4	153.1	39.7	0	0	0	0	110.3
566	S	32.5	Very low	31.8	Very low	115 Å²	115	131.3 Å²	131.3	80%	0.804	75%	0.754	S	S	*	*			trans	52	117.1	170.2	57.1	0	0	0	0	120.7
567	P	34.3	Very low	31.8	Very low	113 Å²	113	130.9 Å²	130.9	73%	0.734	75%	0.752	S	S	*	*			trans	-136.2	-179.7	155.6	41.7	-28.3	0	0	0	113
568	P	37.2	Very low	32	Very low	131 Å²	131	128.4 Å²	128.4	85%	0.851	76%	0.755	S	S	*	*				-134.6	-164.6	-51.9	41.1	-25	0	0	0	112
569	S	31.2	Very low	31.9	Very low	100 Å²	100	129.5 Å²	129.5	70%	0.699	76%	0.764	S	S	*	*			trans	-119.8	150.3	-172	49.8	0	0	0	0	116.2
570	T	37.2	Very low	32.2	Very low	131 Å²	131	132.5 Å²	132.5	80%	0.804	77%	0.77	S	S	*	*			trans	62.1	146.9	152	54.1	0	0	0	0	122.2
571	P	34.7	Very low	32.3	Very low	128 Å²	128	135.2 Å²	135.2	83%	0.831	78%	0.78	S	S	*	*			trans	-136.1	119.7	134.2	35.8	-22.4	0	0	0	115.5
572	N	30.8	Very low	32.7	Very low	145 Å²	145	132.6 Å²	132.6	78%	0.775	77%	0.773	S	S	*	*			trans	6.4	133.2	135	-165.8	19	0	0	0	121
573	S	33.3	Very low	33.2	Very low	101 Å²	101	129.5 Å²	129.5	71%	0.706	76%	0.755	S	S	*	*				172.6	109.9	127.9	176.9	0	0	0	0	115.8
574	N	31.4	Very low	33.5	Very low	125 Å²	125	127.9 Å²	127.9	67%	0.668	75%	0.75	S	S	*	*			trans	33	119.4	138.9	-54.2	-15.8	0	0	0	122
575	N	31.2	Very low	33.8	Very low	139 Å²	139	127.9 Å²	127.9	74%	0.743	74%	0.744	S	S	*	*				178.5	147.2	90.2	-101	-27.5	0	0	0	116.3
576	N	32.1	Very low	34.5	Very low	120 Å²	120	125 Å²	125	64%	0.642	72%	0.723	S	S	*	*			trans	61.2	102.8	149.3	-62.3	-16.3	0	0	0	122.5
577	N	31.2	Very low	34.9	Very low	135 Å²	135	124.9 Å²	124.9	72%	0.722	71%	0.712	S	S	*	*				55.9	93.4	117.8	-50	-13.4	0	0	0	119.7
578	N	32.4	Very low	35	Very low	167 Å²	167	123.5 Å²	123.5	89%	0.893	70%	0.698	S	S	*	*				-164.6	150.3	96.8	-96	-24.1	0	0	0	111.5
579	A	28.8	Very low	35.4	Very low	103 Å²	103	124 Å²	124	85%	0.851	69%	0.687	S	S	*	*			trans	-88.8	113.6	-172.7	0	0	0	0	0	112.2
580	Q	36.3	Very low	36	Very low	184 Å²	184	125.6 Å²	125.6	86%	0.86	69%	0.686	S	S	*	*			trans	-123.2	133.7	150.8	-73.2	178.9	-64	0	0	107.2	I582	Q580-I582 PolarHBondContact O-N 3.31Å; Q580-I582 VanDerWaalsContact O-N 3.08Å
581	Q	35.3	Very low	36	Very low	189 Å²	189	123.9 Å²	123.9	88%	0.883	67%	0.669	S	S	*	*			trans	-68.6	107.4	176.5	-71.3	170.2	-49.6	0	0	108.1	T583	Q581-T583 PolarHBondContact O-N 3.25Å
582	I	35.8	Very low	36.1	Very low	134 Å²	134	121.2 Å²	121.2	69%	0.687	65%	0.651	S	S	*	*			trans	-61.3	109.9	168.1	-62.3	175.9	0	0	0	106	Q580 D586 M587	Q580-I582 PolarHBondContact O-N 3.31Å; Q580-I582 VanDerWaalsContact O-N 3.08Å; I582-D586 HydrophobicContact CG2-CB 4.14Å; I582-M587 HydrophobicContact CG2-CG 4.33Å
583	T	41.4	Very low	36.3	Very low	63 Å²	63	124 Å²	124	39%	0.387	66%	0.656	S	S	.	*			trans	-71.7	159.2	-176	71.4	0	0	0	0	109.9	Q581 M585 D586 M587	Q581-T583 PolarHBondContact O-N 3.25Å; T583-M585 PolarHBondContact O-N 2.93Å; T583-M585 VanDerWaalsContact O-N 3.14Å; T583-M585 WeakPolarHBondContact OG1-CB 3.46Å; T583-M585 PolarHBondContact OG1-N 3.48Å; T583-D586 PolarHBondContact N-OD2 3.09Å; T583-D586 PolarHBondContact O-N 2.95Å; T583-D586 PolarHBondContact OG1-N 3.36Å; T583-D586 PolarHBondContact OG1-OD2 3.29Å; T583-M587 PolarHBondContact O-N 2.9Å
584	T	36.7	Very low	36.5	Very low	114 Å²	114	124.6 Å²	124.6	70%	0.699	65%	0.65	S	S	*	*	H	α-helix	trans	-51.8	-33.9	168.5	45.8	0	0	0	0	111.5	D586 L588	T584-D586 PolarHBondContact O-N 2.86Å; T584-L588 WeakPolarHBondContact O-CB 3.3Å; T584-L588 WeakPolarHBondContact O-CD1 3.5Å; T584-L588 VanDerWaalsContact O-CG 3.22Å; T584-L588 WeakPolarHBondContact O-CG 3.5Å; T584-L588 PolarHBondContact O-N 2.61Å
585	M	37.1	Very low	36.5	Very low	120 Å²	120	121.7 Å²	121.7	59%	0.591	64%	0.64	S	S	*	*	H	α-helix	trans	-67.8	-28.2	177.4	-155.6	64.9	174.2	0	0	114.2	T583 L588 K589	T583-M585 PolarHBondContact O-N 2.93Å; T583-M585 VanDerWaalsContact O-N 3.14Å; T583-M585 WeakPolarHBondContact OG1-CB 3.46Å; T583-M585 PolarHBondContact OG1-N 3.48Å; M585-L588 HydrophobicContact SD-CD1 4.38Å; M585-K589 WeakPolarHBondContact O-CG 3.42Å; M585-K589 PolarHBondContact O-N 3.23Å
586	D	43.4	Very low	36.7	Very low	67 Å²	67	118.5 Å²	118.5	36%	0.358	62%	0.622	S	S	.	*	H	α-helix	trans	-85.8	-33.4	179.6	-59.5	-53.2	0	0	0	111.8	I582 T583 T584 K589	I582-D586 HydrophobicContact CG2-CB 4.14Å; T583-D586 PolarHBondContact N-OD2 3.09Å; T583-D586 PolarHBondContact O-N 2.95Å; T583-D586 PolarHBondContact OG1-N 3.36Å; T583-D586 PolarHBondContact OG1-OD2 3.29Å; T584-D586 PolarHBondContact O-N 2.86Å; D586-K589 PolarHBondContact O-N 3.44Å; D586-K589 IonicContact OD1-NZ 3.2Å; D586-K589 PolarHBondContact OD1-NZ 2.9Å
587	M	40.7	Very low	37.2	Very low	113 Å²	113	116.4 Å²	116.4	56%	0.557	61%	0.611	S	S	*	*	H	α-helix	trans	-60.9	-43.3	164.6	-95.3	-70.4	-171.5	0	0	111.8	I582 T583 K589 L590	I582-M587 HydrophobicContact CG2-CG 4.33Å; T583-M587 PolarHBondContact O-N 2.9Å; M587-K589 VanDerWaalsContact C-N 3.27Å; M587-K589 PolarHBondContact O-N 3.38Å; M587-L590 PolarHBondContact O-N 2.81Å; M587-L590 VanDerWaalsContact O-N 3.16Å
588	L	37.5	Very low	37.3	Very low	84 Å²	84	115.7 Å²	115.7	44%	0.44	61%	0.607	S	S	.	*	H	α-helix	trans	-61.2	-31.1	179.6	-80.4	165.5	0	0	0	113.5	T584 M585 T592	T584-L588 WeakPolarHBondContact O-CB 3.3Å; T584-L588 WeakPolarHBondContact O-CD1 3.5Å; T584-L588 VanDerWaalsContact O-CG 3.22Å; T584-L588 WeakPolarHBondContact O-CG 3.5Å; T584-L588 PolarHBondContact O-N 2.61Å; M585-L588 HydrophobicContact SD-CD1 4.38Å; L588-T592 WeakPolarHBondContact O-CG2 3.44Å; L588-T592 PolarHBondContact O-OG1 3.48Å
589	K	43.9	Very low	37.7	Very low	143 Å²	143	111.8 Å²	111.8	62%	0.622	59%	0.589	S	S	*	*	H	α-helix	trans	-73	-24.1	177	-73.3	168.8	-170.1	156.6	0	114.1	M585 D586 M587	M585-K589 WeakPolarHBondContact O-CG 3.42Å; M585-K589 PolarHBondContact O-N 3.23Å; D586-K589 PolarHBondContact O-N 3.44Å; D586-K589 IonicContact OD1-NZ 3.2Å; D586-K589 PolarHBondContact OD1-NZ 2.9Å; M587-K589 VanDerWaalsContact C-N 3.27Å; M587-K589 PolarHBondContact O-N 3.38Å
590	L	44.6	Very low	38.4	Very low	133 Å²	133	112.4 Å²	112.4	70%	0.696	57%	0.571	S	S	*	*	H	α-helix	trans	-88.8	-16.9	-170.2	-140.3	77.9	0	0	0	113.8	M587	M587-L590 PolarHBondContact O-N 2.81Å; M587-L590 VanDerWaalsContact O-N 3.16Å
591	H	37.9	Very low	39	Very low	95 Å²	95	109.2 Å²	109.2	44%	0.44	56%	0.559	S	S	.	*	S	Bend	trans	-137.2	28.8	-163.2	-67.5	-55	0	0	0	114.8	F518	F518-H591 WeakPolarHBondContact CE2-O 3.48Å
592	T	35.3	Very low	39.5	Very low	72 Å²	72	104.1 Å²	104.1	44%	0.442	54%	0.538	S	S	.	.			trans	-125.1	89	-171.7	42.2	0	0	0	0	115	L588	L588-T592 WeakPolarHBondContact O-CG2 3.44Å; L588-T592 PolarHBondContact O-OG1 3.48Å
593	F	35.8	Very low	40.2	Very low	203 Å²	203	102.5 Å²	102.5	89%	0.89	53%	0.53	S	S	*	.			trans	-146.9	124.3	149.4	-90.9	-69	0	0	0	110.4	F518	F518-F593 VanDerWaalsContact CD2-O 3.24Å; F518-F593 WeakPolarHBondContact CD2-O 3.42Å; F518-F593 VanDerWaalsContact CE2-O 3.27Å; F518-F593 WeakPolarHBondContact CE2-O 3.41Å
594	I	37.9	Very low	40.9	Very low	113 Å²	113	102.2 Å²	102.2	58%	0.579	53%	0.527	S	S	*	.			trans	-108	134.9	-165	-62.1	156	0	0	0	110.7	F518	F518-I594 HydrophobicContact CD1-CG1 4.23Å; F518-I594 HydrophobicContact CE1-CB 4.4Å; F518-I594 HydrophobicContact CE1-CD1 4.38Å; F518-I594 HydrophobicContact CE1-CG1 3.43Å; F518-I594 VanDerWaalsContact CE1-CG1 3.43Å; F518-I594 HydrophobicContact CE2-CG1 4.26Å; F518-I594 HydrophobicContact CZ-CD1 4.39Å; F518-I594 HydrophobicContact CZ-CG1 3.45Å; F518-I594 VanDerWaalsContact CZ-CG1 3.45Å
595	S	30.5	Very low	41.7	Very low	64 Å²	64	102.2 Å²	102.2	45%	0.448	52%	0.519	S	S	.	.			trans	-153.9	91.8	164.1	62.9	0	0	0	0	112.6	R515	R515-S595 WeakPolarHBondContact CD-O 3.49Å; R515-S595 VanDerWaalsContact CG-O 3.32Å; R515-S595 WeakPolarHBondContact CG-O 3.41Å
596	N	37.2	Very low	42.4	Very low	72 Å²	72	100.9 Å²	100.9	39%	0.385	51%	0.513	S	S	.	.				177	135.6	99.5	-75.1	-3.3	0	0	0	109.2	R515	R515-N596 PolarHBondContact NH1-ND2 2.89Å
597	L	40.9	Very low	43.2	Very low	77 Å²	77	99.6 Å²	99.6	40%	0.403	51%	0.505	S	S	.	.			trans	-105.2	129.2	150.4	-96.3	69.2	0	0	0	107.6	W519 L603 L606	W519-L597 HydrophobicContact CH2-CD1 4.44Å; W519-L597 HydrophobicContact CZ2-CD1 4.16Å; L597-L603 HydrophobicContact CB-CD1 4.3Å; L597-L606 HydrophobicContact CD2-CD2 3.88Å
598	D	34.5	Very low	44.2	Very low	120 Å²	120	98.6 Å²	98.6	64%	0.642	50%	0.501	S	S	*	.			trans	-99.8	77.4	-178.8	-86.7	-60.7	0	0	0	111.1	R515	R515-D598 IonicContact CZ-OD2 3.83Å; R515-D598 IonicContact NH1-OD2 3.88Å; R515-D598 PolarHBondContact NH1-OD2 3.24Å
599	T	39.8	Very low	45.2	Very low	84 Å²	84	98.9 Å²	98.9	52%	0.515	50%	0.503	S	S	.	.			trans	-178.6	142.5	146.8	20.1	0	0	0	0	111.2	N601 D602 L603	T599-N601 VanDerWaalsContact C-N 3.35Å; T599-N601 PolarHBondContact O-N 3.4Å; T599-D602 PolarHBondContact O-N 2.96Å; T599-D602 PolarHBondContact OG1-OD2 3.3Å; T599-L603 PolarHBondContact O-N 3.03Å
600	Y	44.3	Very low	45.8	Very low	117 Å²	117	97.2 Å²	97.2	46%	0.459	50%	0.496	S	S	.	.	H	α-helix	trans	-66.2	-32.9	-173.9	-166.2	-100.9	0	0	0	113.7	R836	Y600-R836 VanDerWaalsContact CZ-CZ 3.41Å; Y600-R836 PolarHBondContact OH-NE 3.08Å
601	N	47.9	Very low	46.7	Very low	116 Å²	116	94.3 Å²	94.3	62%	0.62	48%	0.479	S	S	*	.	H	α-helix	trans	-76.9	-28.7	178.7	-61.7	-8.8	0	0	0	112.6	T599 Q605	T599-N601 VanDerWaalsContact C-N 3.35Å; T599-N601 PolarHBondContact O-N 3.4Å; N601-Q605 WeakPolarHBondContact O-CB 2.98Å; N601-Q605 VanDerWaalsContact O-CG 3.31Å; N601-Q605 WeakPolarHBondContact O-CG 3.17Å; N601-Q605 PolarHBondContact O-N 3.44Å; N601-Q605 VanDerWaalsContact O-N 3.11Å; N601-Q605 PolarHBondContact O-NE2 3.27Å
602	D	46.5	Very low	47.7	Very low	82 Å²	82	94.2 Å²	94.2	44%	0.439	48%	0.478	S	S	.	.	H	α-helix	trans	-80	-28.4	-174.4	-73.2	18.7	0	0	0	111.1	T599 Q605 L606	T599-D602 PolarHBondContact O-N 2.96Å; T599-D602 PolarHBondContact OG1-OD2 3.3Å; D602-Q605 PolarHBondContact OD1-NE2 3.46Å; D602-Q605 VanDerWaalsContact OD1-NE2 3.15Å; D602-L606 VanDerWaalsContact O-CB 3.23Å; D602-L606 WeakPolarHBondContact O-CB 3.21Å; D602-L606 PolarHBondContact O-N 3.15Å
603	L	50.9	Low	48.6	Very low	101 Å²	101	96.2 Å²	96.2	53%	0.529	48%	0.482	S	S	.	.	H	α-helix	trans	-68.7	-43.9	173.9	-157.8	81.8	0	0	0	112.2	L597 T599 L606 F607	L597-L603 HydrophobicContact CB-CD1 4.3Å; T599-L603 PolarHBondContact O-N 3.03Å; L603-L606 PolarHBondContact O-N 3.29Å; L603-F607 WeakPolarHBondContact O-CB 3.4Å; L603-F607 PolarHBondContact O-N 2.87Å
604	D	55.4	Low	49.8	Very low	57 Å²	57	87.7 Å²	87.7	31%	0.305	45%	0.445	S	S	.	.	H	α-helix	trans	-69.2	-40.2	175.8	-83.4	-34.8	0	0	0	111.3	L606 F607 D608 R829	D604-L606 VanDerWaalsContact C-N 3.35Å; D604-L606 PolarHBondContact O-N 3.39Å; D604-F607 PolarHBondContact O-N 3.32Å; D604-D608 WeakPolarHBondContact O-CB 3.21Å; D604-D608 VanDerWaalsContact O-CG 3.28Å; D604-D608 PolarHBondContact O-N 3.26Å; D604-R829 IonicContact OD1-CZ 3.41Å; D604-R829 IonicContact OD1-NE 3.3Å; D604-R829 PolarHBondContact OD1-NE 3.2Å; D604-R829 IonicContact OD1-NH2 2.71Å; D604-R829 PolarHBondContact OD1-NH2 2.89Å
605	Q	53.5	Low	50.9	Low	114 Å²	114	88.9 Å²	88.9	53%	0.533	44%	0.443	S	S	.	.	H	α-helix	trans	-59.2	-42.9	171.3	-78	170.5	100.8	0	0	112.3	N601 D602 F607 L609	N601-Q605 WeakPolarHBondContact O-CB 2.98Å; N601-Q605 VanDerWaalsContact O-CG 3.31Å; N601-Q605 WeakPolarHBondContact O-CG 3.17Å; N601-Q605 PolarHBondContact O-N 3.44Å; N601-Q605 VanDerWaalsContact O-N 3.11Å; N601-Q605 PolarHBondContact O-NE2 3.27Å; D602-Q605 PolarHBondContact OD1-NE2 3.46Å; D602-Q605 VanDerWaalsContact OD1-NE2 3.15Å; Q605-F607 VanDerWaalsContact C-N 3.34Å; Q605-L609 WeakPolarHBondContact O-CB 3.44Å; Q605-L609 PolarHBondContact O-N 3Å
606	L	52.4	Low	52	Low	92 Å²	92	93 Å²	93	48%	0.482	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-39.2	176.3	-172.3	77.5	0	0	0	111.4	L597 D602 L603 D604 L609 F610	L597-L606 HydrophobicContact CD2-CD2 3.88Å; D602-L606 VanDerWaalsContact O-CB 3.23Å; D602-L606 WeakPolarHBondContact O-CB 3.21Å; D602-L606 PolarHBondContact O-N 3.15Å; L603-L606 PolarHBondContact O-N 3.29Å; D604-L606 VanDerWaalsContact C-N 3.35Å; D604-L606 PolarHBondContact O-N 3.39Å; L606-L609 PolarHBondContact O-N 3.35Å; L606-F610 WeakPolarHBondContact O-CB 3.47Å; L606-F610 PolarHBondContact O-N 3.01Å
607	F	60.9	Low	52.7	Low	40 Å²	40	93.6 Å²	93.6	18%	0.175	45%	0.452	C	S	.	.	H	α-helix	trans	-71.2	-38.9	179.9	-154.9	-93.3	0	0	0	112.2	L603 D604 Q605 F610 H611 F822 I825	L603-F607 WeakPolarHBondContact O-CB 3.4Å; L603-F607 PolarHBondContact O-N 2.87Å; D604-F607 PolarHBondContact O-N 3.32Å; Q605-F607 VanDerWaalsContact C-N 3.34Å; F607-F610 PolarHBondContact O-N 3.2Å; F607-H611 WeakPolarHBondContact O-CB 3.32Å; F607-H611 PolarHBondContact O-N 2.78Å; F607-F822 HydrophobicContact CE1-CD1 4.29Å; F607-F822 HydrophobicContact CE1-CE1 4.43Å; F607-F822 AromaticContact CZ-CD1 3.91Å; F607-F822 HydrophobicContact CZ-CD1 3.91Å; F607-F822 HydrophobicContact CZ-CE1 4.09Å; F607-I825 HydrophobicContact CD2-CG2 4.46Å; F607-I825 HydrophobicContact CE1-CG2 4.17Å; F607-I825 HydrophobicContact CE2-CB 4.42Å; F607-I825 HydrophobicContact CE2-CD1 3.55Å; F607-I825 HydrophobicContact CE2-CG2 3.77Å; F607-I825 HydrophobicContact CZ-CB 4.03Å; F607-I825 HydrophobicContact CZ-CD1 3.81Å; F607-I825 HydrophobicContact CZ-CG2 3.59Å
608	D	61.8	Low	53.4	Low	91 Å²	91	90.9 Å²	90.9	49%	0.487	44%	0.439	S	S	.	.	H	α-helix	trans	-70.6	-36.2	175.4	-67.8	-0.5	0	0	0	110.6	D604 H611 E612 R829	D604-D608 WeakPolarHBondContact O-CB 3.21Å; D604-D608 VanDerWaalsContact O-CG 3.28Å; D604-D608 PolarHBondContact O-N 3.26Å; D608-H611 PolarHBondContact O-N 2.86Å; D608-E612 VanDerWaalsContact O-CB 3.31Å; D608-E612 WeakPolarHBondContact O-CB 3.37Å; D608-E612 PolarHBondContact O-N 3.27Å; D608-R829 IonicContact OD1-NH1 3.95Å; D608-R829 IonicContact OD1-NH2 3.27Å; D608-R829 PolarHBondContact OD1-NH2 3.17Å
609	L	58.3	Low	54.3	Low	90 Å²	90	91.4 Å²	91.4	47%	0.471	44%	0.436	S	S	.	.	H	α-helix	trans	-59.7	-45.6	166.5	-118.6	85.6	0	0	0	111.5	Q605 L606 H611 E612 H613	Q605-L609 WeakPolarHBondContact O-CB 3.44Å; Q605-L609 PolarHBondContact O-N 3Å; L606-L609 PolarHBondContact O-N 3.35Å; L609-H611 VanDerWaalsContact C-N 3.33Å; L609-H611 PolarHBondContact O-N 3.29Å; L609-E612 PolarHBondContact O-N 2.89Å; L609-H613 VanDerWaalsContact O-CB 3.28Å; L609-H613 WeakPolarHBondContact O-CB 3.42Å; L609-H613 PolarHBondContact O-CD2 3.06Å; L609-H613 PolarHBondContact O-N 2.94Å
610	F	55.5	Low	54.8	Low	109 Å²	109	91.1 Å²	91.1	48%	0.478	44%	0.442	S	S	.	.	H	α-helix	trans	-64.9	-39.6	-179.7	-176.2	-95.1	0	0	0	111.3	L606 F607 F614 F822	L606-F610 WeakPolarHBondContact O-CB 3.47Å; L606-F610 PolarHBondContact O-N 3.01Å; F607-F610 PolarHBondContact O-N 3.2Å; F610-F614 WeakPolarHBondContact O-CB 3.43Å; F610-F614 PolarHBondContact O-N 2.71Å; F610-F822 HydrophobicContact CD1-CE1 4.03Å; F610-F822 HydrophobicContact CD1-CZ 4.33Å; F610-F822 AromaticContact CE1-CE1 3.89Å; F610-F822 HydrophobicContact CE1-CE1 3.89Å; F610-F822 HydrophobicContact CE1-CZ 4.05Å
611	H	62.9	Low	55.1	Low	72 Å²	72	88 Å²	88	33%	0.333	43%	0.433	S	S	.	.	H	α-helix	trans	-67.6	-43.4	175	-156.6	-89.1	0	0	0	111	F607 D608 L609 F614 Y615	F607-H611 WeakPolarHBondContact O-CB 3.32Å; F607-H611 PolarHBondContact O-N 2.78Å; D608-H611 PolarHBondContact O-N 2.86Å; L609-H611 VanDerWaalsContact C-N 3.33Å; L609-H611 PolarHBondContact O-N 3.29Å; H611-F614 PolarHBondContact O-N 3.41Å; H611-Y615 AromaticContact CE1-CD2 3.74Å; H611-Y615 AromaticContact CE1-CE2 3.28Å; H611-Y615 WeakPolarHBondContact CE1-CE2 3.17Å; H611-Y615 AromaticContact ND1-CD2 3.66Å; H611-Y615 AromaticContact ND1-CE2 3.72Å; H611-Y615 AromaticContact NE2-CE2 3.88Å; H611-Y615 WeakPolarHBondContact O-CB 3.34Å; H611-Y615 WeakPolarHBondContact O-CD2 3.17Å; H611-Y615 PolarHBondContact O-N 2.89Å
612	E	58.9	Low	55.4	Low	92 Å²	92	87.7 Å²	87.7	43%	0.43	43%	0.431	S	S	.	.	H	α-helix	trans	-63.8	-44.6	174.6	-168.4	-173.5	173.7	0	0	111.5	D608 L609 Y615 R616	D608-E612 VanDerWaalsContact O-CB 3.31Å; D608-E612 WeakPolarHBondContact O-CB 3.37Å; D608-E612 PolarHBondContact O-N 3.27Å; L609-E612 PolarHBondContact O-N 2.89Å; E612-Y615 PolarHBondContact O-N 3.46Å; E612-R616 HydrophobicContact CG-CG 4.34Å; E612-R616 VanDerWaalsContact O-CB 3.25Å; E612-R616 WeakPolarHBondContact O-CB 3.25Å; E612-R616 VanDerWaalsContact O-CG 3.22Å; E612-R616 WeakPolarHBondContact O-CG 3.42Å; E612-R616 PolarHBondContact O-N 3.38Å; E612-R616 IonicContact OE1-CZ 2.89Å; E612-R616 IonicContact OE1-NE 2.76Å; E612-R616 PolarHBondContact OE1-NE 3.34Å; E612-R616 IonicContact OE1-NH2 2.71Å; E612-R616 PolarHBondContact OE1-NH2 3.44Å
613	H	54.9	Low	55.2	Low	114 Å²	114	86.4 Å²	86.4	53%	0.528	43%	0.428	S	S	.	.	H	α-helix	trans	-67.3	-36.4	176.5	-84.4	-73.5	0	0	0	112.4	L609 L617	L609-H613 VanDerWaalsContact O-CB 3.28Å; L609-H613 WeakPolarHBondContact O-CB 3.42Å; L609-H613 PolarHBondContact O-CD2 3.06Å; L609-H613 PolarHBondContact O-N 2.94Å; H613-L617 WeakPolarHBondContact O-CB 3.45Å; H613-L617 PolarHBondContact O-N 2.7Å
614	F	61	Low	54.6	Low	25 Å²	25	84.9 Å²	84.9	11%	0.11	44%	0.437	C	S	.	.	H	α-helix	trans	-63.8	-47.4	172.4	-179.4	-87.8	0	0	0	111	F610 H611 L617 S618 L814 N815 A818 F822	F610-F614 WeakPolarHBondContact O-CB 3.43Å; F610-F614 PolarHBondContact O-N 2.71Å; H611-F614 PolarHBondContact O-N 3.41Å; F614-L617 PolarHBondContact O-N 3.35Å; F614-S618 WeakPolarHBondContact O-CB 3.45Å; F614-S618 PolarHBondContact O-N 3.23Å; F614-S618 PolarHBondContact O-OG 2.79Å; F614-L814 HydrophobicContact CD2-CD2 4.09Å; F614-L814 HydrophobicContact CE2-CD2 3.8Å; F614-L814 HydrophobicContact CE2-CG 3.95Å; F614-N815 WeakPolarHBondContact CZ-OD1 3.21Å; F614-A818 HydrophobicContact CE1-CB 4.15Å; F614-A818 HydrophobicContact CE2-CB 3.6Å; F614-A818 HydrophobicContact CZ-CB 3.39Å; F614-F822 HydrophobicContact CB-CZ 4.33Å; F614-F822 AromaticContact CD1-CE2 3.87Å; F614-F822 HydrophobicContact CD1-CE2 3.87Å; F614-F822 HydrophobicContact CD1-CZ 4.19Å; F614-F822 HydrophobicContact CD2-CE2 4.46Å; F614-F822 HydrophobicContact CD2-CZ 4.34Å; F614-F822 AromaticContact CE1-CE2 4Å; F614-F822 HydrophobicContact CE1-CE2 4Å; F614-F822 HydrophobicContact CG-CE2 4.13Å; F614-F822 HydrophobicContact CG-CZ 4.02Å; F614-F822 HydrophobicContact CZ-CE2 4.34Å
615	Y	60.6	Low	53.5	Low	137 Å²	137	88.3 Å²	88.3	54%	0.537	46%	0.463	S	S	.	.	H	α-helix	trans	-64.7	-43.6	176.4	-91.9	-97.8	0	0	0	111.8	H611 E612 L617 S618 F619	H611-Y615 AromaticContact CE1-CD2 3.74Å; H611-Y615 AromaticContact CE1-CE2 3.28Å; H611-Y615 WeakPolarHBondContact CE1-CE2 3.17Å; H611-Y615 AromaticContact ND1-CD2 3.66Å; H611-Y615 AromaticContact ND1-CE2 3.72Å; H611-Y615 AromaticContact NE2-CE2 3.88Å; H611-Y615 WeakPolarHBondContact O-CB 3.34Å; H611-Y615 WeakPolarHBondContact O-CD2 3.17Å; H611-Y615 PolarHBondContact O-N 2.89Å; E612-Y615 PolarHBondContact O-N 3.46Å; Y615-L617 VanDerWaalsContact C-N 3.34Å; Y615-L617 PolarHBondContact O-N 3.45Å; Y615-S618 PolarHBondContact O-N 2.86Å; Y615-S618 PolarHBondContact O-OG 3.01Å; Y615-F619 WeakPolarHBondContact O-CB 3.34Å; Y615-F619 PolarHBondContact O-N 3.34Å
616	R	54.1	Low	52.5	Low	151 Å²	151	89 Å²	89	57%	0.57	48%	0.48	S	S	*	.	H	α-helix	trans	-61.9	-37.2	173.7	-76.1	173	176.7	-111.1	9.9	112.7	E612 A620	E612-R616 HydrophobicContact CG-CG 4.34Å; E612-R616 VanDerWaalsContact O-CB 3.25Å; E612-R616 WeakPolarHBondContact O-CB 3.25Å; E612-R616 VanDerWaalsContact O-CG 3.22Å; E612-R616 WeakPolarHBondContact O-CG 3.42Å; E612-R616 PolarHBondContact O-N 3.38Å; E612-R616 IonicContact OE1-CZ 2.89Å; E612-R616 IonicContact OE1-NE 2.76Å; E612-R616 PolarHBondContact OE1-NE 3.34Å; E612-R616 IonicContact OE1-NH2 2.71Å; E612-R616 PolarHBondContact OE1-NH2 3.44Å; R616-A620 WeakPolarHBondContact O-CB 3.4Å; R616-A620 PolarHBondContact O-N 2.75Å
617	L	52.7	Low	51.4	Low	84 Å²	84	89.3 Å²	89.3	44%	0.44	49%	0.49	S	S	.	.	H	α-helix	trans	-68.8	-48.3	176	179.8	63.2	0	0	0	110.6	H613 F614 Y615 F619 A620 L621 L814	H613-L617 WeakPolarHBondContact O-CB 3.45Å; H613-L617 PolarHBondContact O-N 2.7Å; F614-L617 PolarHBondContact O-N 3.35Å; Y615-L617 VanDerWaalsContact C-N 3.34Å; Y615-L617 PolarHBondContact O-N 3.45Å; L617-F619 VanDerWaalsContact C-N 3.3Å; L617-F619 PolarHBondContact O-N 2.95Å; L617-A620 PolarHBondContact O-N 3.29Å; L617-L621 HydrophobicContact CD1-CD1 3.88Å; L617-L621 HydrophobicContact CD1-CG 4.28Å; L617-L621 HydrophobicContact CG-CD1 4Å; L617-L621 WeakPolarHBondContact O-CB 3.48Å; L617-L621 VanDerWaalsContact O-CG 3.22Å; L617-L621 WeakPolarHBondContact O-CG 3.32Å; L617-L621 PolarHBondContact O-N 3.23Å; L617-L814 HydrophobicContact CD2-CD2 3.84Å
618	S	54	Low	49.9	Very low	20 Å²	20	94.2 Å²	94.2	14%	0.14	52%	0.518	C	S	.	.	H	α-helix	trans	-59.9	-41.3	174.8	73.8	0	0	0	0	111.5	F614 Y615 L621 L622	F614-S618 WeakPolarHBondContact O-CB 3.45Å; F614-S618 PolarHBondContact O-N 3.23Å; F614-S618 PolarHBondContact O-OG 2.79Å; Y615-S618 PolarHBondContact O-N 2.86Å; Y615-S618 PolarHBondContact O-OG 3.01Å; S618-L621 CarbonylContact O-C 3.53Å; S618-L621 PolarHBondContact O-N 3.23Å; S618-L622 WeakPolarHBondContact O-CB 3.25Å; S618-L622 WeakPolarHBondContact O-CD1 3.49Å; S618-L622 WeakPolarHBondContact O-CG 3.19Å; S618-L622 PolarHBondContact O-N 3.09Å
619	F	54.5	Low	48.7	Very low	132 Å²	132	97.6 Å²	97.6	58%	0.579	54%	0.535	S	S	*	.	H	α-helix	trans	-66.8	-46	177	-174.6	-93.6	0	0	0	111.8	Y615 L617 L621 L622 S623	Y615-F619 WeakPolarHBondContact O-CB 3.34Å; Y615-F619 PolarHBondContact O-N 3.34Å; L617-F619 VanDerWaalsContact C-N 3.3Å; L617-F619 PolarHBondContact O-N 2.95Å; F619-L621 PolarHBondContact O-N 3.38Å; F619-L622 CarbonylContact O-C 3.05Å; F619-L622 PolarHBondContact O-N 3.15Å; F619-L622 VanDerWaalsContact O-N 3.09Å; F619-S623 WeakPolarHBondContact O-CA 3.46Å; F619-S623 WeakPolarHBondContact O-CB 3.46Å; F619-S623 PolarHBondContact O-N 3Å
620	A	50.5	Low	47.4	Very low	77 Å²	77	98.4 Å²	98.4	64%	0.636	55%	0.548	S	S	*	.	H	α-helix	trans	-63.7	-24.8	176	0	0	0	0	0	113.1	R616 L617	R616-A620 WeakPolarHBondContact O-CB 3.4Å; R616-A620 PolarHBondContact O-N 2.75Å; L617-A620 PolarHBondContact O-N 3.29Å
621	L	50.6	Low	46.4	Very low	52 Å²	52	104.8 Å²	104.8	27%	0.272	57%	0.569	S	S	.	*	H	α-helix	trans	-91.5	-9.5	175.1	-65.8	173.8	0	0	0	114	L617 S618 F619 T807 L811	L617-L621 HydrophobicContact CD1-CD1 3.88Å; L617-L621 HydrophobicContact CD1-CG 4.28Å; L617-L621 HydrophobicContact CG-CD1 4Å; L617-L621 WeakPolarHBondContact O-CB 3.48Å; L617-L621 VanDerWaalsContact O-CG 3.22Å; L617-L621 WeakPolarHBondContact O-CG 3.32Å; L617-L621 PolarHBondContact O-N 3.23Å; S618-L621 CarbonylContact O-C 3.53Å; S618-L621 PolarHBondContact O-N 3.23Å; F619-L621 PolarHBondContact O-N 3.38Å; L621-T807 HydrophobicContact CD1-CG2 4.49Å; L621-T807 HydrophobicContact CD2-CG2 3.72Å; L621-L811 HydrophobicContact CB-CD2 4.03Å; L621-L811 HydrophobicContact CD1-CD1 4.16Å; L621-L811 HydrophobicContact CD1-CD2 4.47Å
622	L	54.1	Low	45.1	Very low	110 Å²	110	106.1 Å²	106.1	58%	0.576	59%	0.587	S	S	*	*	H	α-helix	trans	-128.1	-3.7	-175	-64.8	171	0	0	0	114.4	S618 F619 L811	S618-L622 WeakPolarHBondContact O-CB 3.25Å; S618-L622 WeakPolarHBondContact O-CD1 3.49Å; S618-L622 WeakPolarHBondContact O-CG 3.19Å; S618-L622 PolarHBondContact O-N 3.09Å; F619-L622 CarbonylContact O-C 3.05Å; F619-L622 PolarHBondContact O-N 3.15Å; F619-L622 VanDerWaalsContact O-N 3.09Å; L622-L811 HydrophobicContact CD1-CD2 4.23Å; L622-L811 HydrophobicContact CD2-CD2 3.89Å; L622-L811 HydrophobicContact CG-CD2 3.93Å
623	S	41.1	Very low	44	Very low	54 Å²	54	106.3 Å²	106.3	38%	0.378	60%	0.604	S	S	.	*			trans	-150.8	106.2	-172.5	-68.4	0	0	0	0	112.5	F619	F619-S623 WeakPolarHBondContact O-CA 3.46Å; F619-S623 WeakPolarHBondContact O-CB 3.46Å; F619-S623 PolarHBondContact O-N 3Å
624	G	38.5	Very low	43.2	Very low	70 Å²	70	105.7 Å²	105.7	72%	0.722	61%	0.612	S	S	*	*			trans	-69.6	160.4	170.8	0	0	0	0	0	113.1
625	P	32.8	Very low	42.1	Very low	129 Å²	129	111.6 Å²	111.6	84%	0.838	65%	0.645	S	S	*	*			trans	-87.2	131	-166.4	32.8	-35	0	0	0	114.1
626	S	31.8	Very low	41.2	Very low	128 Å²	128	110.5 Å²	110.5	90%	0.895	65%	0.653	S	S	*	*			trans	-154	143.7	158	-74.1	0	0	0	0	112.2
627	S	30	Very low	40.4	Very low	99 Å²	99	110.1 Å²	110.1	69%	0.692	66%	0.662	S	S	*	*			trans	-89.3	167.1	-168.5	43.3	0	0	0	0	115.6
628	N	30.4	Very low	39.6	Very low	143 Å²	143	109.1 Å²	109.1	77%	0.765	67%	0.672	S	S	*	*			trans	105.3	152.4	153.7	-52.7	-56	0	0	0	119.2
629	L	34.8	Very low	38.6	Very low	162 Å²	162	112.8 Å²	112.8	85%	0.848	70%	0.698	S	S	*	*			trans	70.9	113.6	173	-52.3	170.2	0	0	0	115.1
630	S	30.9	Very low	37.8	Very low	107 Å²	107	115.8 Å²	115.8	75%	0.748	71%	0.71	S	S	*	*			cis	99.2	105.2	18.9	-58.3	0	0	0	0	116.5
631	R	36.3	Very low	37.1	Very low	242 Å²	242	123.4 Å²	123.4	91%	0.913	72%	0.722	S	S	*	*			trans	66.6	153	154.4	-73.2	-173.1	170	-155.4	-3.7	117.3
632	S	34.6	Very low	36.4	Very low	101 Å²	101	126 Å²	126	71%	0.706	74%	0.743	S	S	*	*			cis	-165.1	-178.7	-2.9	-113	0	0	0	0	110.8
633	A	36.2	Very low	35.4	Very low	95 Å²	95	129 Å²	129	79%	0.785	75%	0.754	S	S	*	*			trans	83.1	144.3	163	0	0	0	0	0	117.3
634	S	37.8	Very low	35	Very low	101 Å²	101	133 Å²	133	71%	0.706	77%	0.769	S	S	*	*			cis	-167.3	163.4	-12	43.4	0	0	0	0	113.2
635	D	37.9	Very low	34.5	Very low	149 Å²	149	136 Å²	136	80%	0.797	77%	0.769	S	S	*	*			trans	76.3	140.8	149.1	-80.2	24	0	0	0	121.3
636	V	42	Very low	34.2	Very low	115 Å²	115	136.5 Å²	136.5	70%	0.697	76%	0.763	S	S	*	*			cis	-152.9	172.1	-10.5	88.5	0	0	0	0	112.6
637	D	37.9	Very low	34	Very low	142 Å²	142	136.3 Å²	136.3	76%	0.759	76%	0.756	S	S	*	*			trans	-21.1	156.1	178.9	-80.6	-60.9	0	0	0	122.1
638	G	34.6	Very low	33.9	Very low	63 Å²	63	141.4 Å²	141.4	65%	0.649	77%	0.766	S	S	*	*			cis	142.6	171	-5.6	0	0	0	0	0	115.8
639	S	34.3	Very low	33.9	Very low	98 Å²	98	143 Å²	143	69%	0.685	77%	0.766	S	S	*	*			trans	68.5	133.9	155.4	-87.1	0	0	0	0	120
640	K	37.2	Very low	33.5	Very low	195 Å²	195	142.6 Å²	142.6	85%	0.848	76%	0.76	S	S	*	*			cis	-148.6	154.1	1.5	-55.7	-170	176.8	175.2	0	113.5
641	R	36.3	Very low	33.4	Very low	236 Å²	236	144.6 Å²	144.6	89%	0.891	76%	0.757	S	S	*	*			trans	-81.4	-174.3	157.6	-105.6	-175.8	-172.6	-168.7	4.5	110.1
642	P	35.6	Very low	33	Very low	108 Å²	108	137.2 Å²	137.2	70%	0.701	74%	0.739	S	S	*	*			cis	-130.5	-156.4	18.1	40.9	-18.2	0	0	0	112.4
643	Q	31.6	Very low	32.7	Very low	172 Å²	172	142.1 Å²	142.1	80%	0.804	75%	0.748	S	S	*	*			cis	-150.7	-149.4	5	-152.1	162.7	-21.6	0	0	111.8
644	I	33.6	Very low	32.5	Very low	137 Å²	137	141.9 Å²	141.9	70%	0.703	74%	0.741	S	S	*	*			trans	-145.4	144.3	-172.9	-65.5	164	0	0	0	107.7
645	N	28.1	Very low	32.1	Very low	133 Å²	133	141.2 Å²	141.2	71%	0.711	74%	0.741	S	S	*	*			trans	-178.8	119.1	138.7	-95	-20	0	0	0	117.3
646	I	26.3	Very low	31.6	Very low	140 Å²	140	139.7 Å²	139.7	72%	0.718	73%	0.729	S	S	*	*				53	103.3	123.7	-54.3	174.7	0	0	0	121
647	V	27	Very low	31	Very low	124 Å²	124	141.5 Å²	141.5	75%	0.752	73%	0.734	S	S	*	*				35.8	119.6	124.2	-174.8	0	0	0	0	121
648	K	27.8	Very low	30.4	Very low	207 Å²	207	139.5 Å²	139.5	90%	0.9	73%	0.731	S	S	*	*				-166.2	165.9	118.1	-119.8	133.3	-173.1	176.4	0	115.9
649	K	31.4	Very low	30.1	Very low	176 Å²	176	141.8 Å²	141.8	77%	0.765	74%	0.738	S	S	*	*			trans	-94.5	-179.3	174	-74.1	179.5	176	179.1	0	111.1
650	H	26.9	Very low	29.7	Very low	154 Å²	154	142.5 Å²	142.5	71%	0.713	74%	0.743	S	S	*	*			trans	77.9	145.6	167	-57.6	-92	0	0	0	115.2
651	E	27.6	Very low	29.3	Very low	149 Å²	149	140.2 Å²	140.2	70%	0.696	75%	0.745	S	S	*	*			cis	-162.7	162	-22.1	-121.2	-173.9	97	0	0	109.9
652	T	28.3	Very low	28.8	Very low	86 Å²	86	133.2 Å²	133.2	53%	0.528	74%	0.738	S	S	.	*			trans	37.6	119.9	137.8	-49.2	0	0	0	0	120.3
653	F	28.5	Very low	28.4	Very low	205 Å²	205	132.6 Å²	132.6	90%	0.899	74%	0.736	S	S	*	*				-168.5	173.8	108	-104.2	-67	0	0	0	113
654	S	31.1	Very low	28.1	Very low	90 Å²	90	132 Å²	132	63%	0.629	73%	0.733	S	S	*	*			trans	-148.7	129.1	-165	179.3	0	0	0	0	114.2
655	A	30	Very low	27.9	Very low	86 Å²	86	132.6 Å²	132.6	71%	0.711	74%	0.737	S	S	*	*			trans	-136.6	145	154.6	0	0	0	0	0	106.9
656	H	27.3	Very low	27.8	Very low	118 Å²	118	137.9 Å²	137.9	55%	0.546	75%	0.747	S	S	.	*				63.2	131.9	53.6	-81.6	-99.5	0	0	0	112.2	R1174	H656-R1174 PolarHBondContact CD2-NH1 3.27Å; H656-R1174 VanDerWaalsContact CD2-NH1 3.35Å; H656-R1174 PolarHBondContact NE2-NH1 3.2Å
657	D	30.3	Very low	27.8	Very low	152 Å²	152	136.1 Å²	136.1	81%	0.813	75%	0.747	S	S	*	*			cis	-133.7	-168.2	29.6	-100.7	-41.8	0	0	0	117.5
658	S	25.2	Very low	27.8	Very low	100 Å²	100	135.2 Å²	135.2	70%	0.699	75%	0.746	S	S	*	*			trans	-126.9	140.5	-161.7	57.7	0	0	0	0	115.8
659	S	28	Very low	27.9	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	74%	0.743	S	S	*	*			trans	-171.7	139.2	143.1	34.7	0	0	0	0	107.9
660	S	25.5	Very low	27.7	Very low	113 Å²	113	131.7 Å²	131.7	79%	0.79	74%	0.744	S	S	*	*			cis	83.6	82.7	28.8	83.8	0	0	0	0	115.9
661	V	28	Very low	27.8	Very low	146 Å²	146	131.5 Å²	131.5	89%	0.885	75%	0.753	S	S	*	*			trans	-137.8	143.4	143.1	-179.4	0	0	0	0	108.2
662	A	26.6	Very low	27.9	Very low	90 Å²	90	127.2 Å²	127.2	74%	0.744	75%	0.749	S	S	*	*			trans	-139.7	177.7	170.7	0	0	0	0	0	108.8
663	S	27	Very low	27.9	Very low	95 Å²	95	132 Å²	132	66%	0.664	77%	0.765	S	S	*	*			trans	68.9	157.5	-162.5	-121.1	0	0	0	0	112.2
664	E	26.8	Very low	27.9	Very low	159 Å²	159	129 Å²	129	74%	0.743	76%	0.755	S	S	*	*			cis	-150.5	150.6	8	-150.7	142.7	-95.6	0	0	107.2
665	L	28	Very low	27.8	Very low	149 Å²	149	134.2 Å²	134.2	78%	0.78	77%	0.767	S	S	*	*				-173.3	152.8	74	-98.4	161	0	0	0	111.2
666	R	26.1	Very low	27.8	Very low	244 Å²	244	133.8 Å²	133.8	92%	0.921	76%	0.759	S	S	*	*			trans	-131.6	120.6	165.1	-113.4	-171.2	174.4	-160.6	-1.2	109.4
667	S	27.5	Very low	28.2	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	77%	0.765	S	S	*	*			trans	-167	152.4	164.6	67.7	0	0	0	0	108.3
668	S	25.3	Very low	28.2	Very low	106 Å²	106	137.6 Å²	137.6	74%	0.741	77%	0.766	S	S	*	*			cis	-165.1	-169.6	-12.2	-107.6	0	0	0	0	109.2
669	I	30.9	Very low	28.5	Very low	162 Å²	162	142.7 Å²	142.7	83%	0.831	77%	0.77	S	S	*	*			trans	82.5	109.5	169.9	-48.7	168	0	0	0	113.3
670	D	26.2	Very low	28.6	Very low	146 Å²	146	140.7 Å²	140.7	78%	0.781	75%	0.75	S	S	*	*			cis	105.4	89.7	11.2	-165.4	25.8	0	0	0	116.5
671	V	30	Very low	29	Very low	151 Å²	151	139.1 Å²	139.1	92%	0.915	74%	0.736	S	S	*	*			trans	-157	142.7	147.7	-170.5	0	0	0	0	105.9
672	G	29.5	Very low	29.2	Very low	58 Å²	58	139.2 Å²	139.2	60%	0.598	73%	0.726	S	S	*	*			cis	173.6	123.3	-9.5	0	0	0	0	0	108.6
673	H	28.7	Very low	29.2	Very low	186 Å²	186	143.7 Å²	143.7	86%	0.861	72%	0.724	S	S	*	*			trans	-73.2	137.9	-167.4	-86.2	-19.3	0	0	0	115.5
674	M	29.2	Very low	29.4	Very low	144 Å²	144	142.4 Å²	142.4	71%	0.709	71%	0.71	S	S	*	*			trans	-121.9	47.2	169.7	-75.6	-116.8	80.3	0	0	113.8	S676	M674-S676 PolarHBondContact O-N 2.98Å; M674-S676 VanDerWaalsContact O-N 3.14Å
675	K	28	Very low	29.6	Very low	199 Å²	199	136.7 Å²	136.7	87%	0.865	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	73.5	170.1	-73.3	-165.1	172.3	-168.6	0	111.8
676	S	30	Very low	30	Very low	77 Å²	77	132.3 Å²	132.3	54%	0.538	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-151.7	1.3	174.5	-121.8	0	0	0	0	117.7	M674 K678 R679	M674-S676 PolarHBondContact O-N 2.98Å; M674-S676 VanDerWaalsContact O-N 3.14Å; S676-K678 PolarHBondContact O-N 3.5Å; S676-R679 PolarHBondContact O-N 3.4Å
677	K	34.7	Very low	30.7	Very low	155 Å²	155	123.7 Å²	123.7	67%	0.674	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-15.7	-164.7	-78.7	-175.5	172.3	179.8	0	117.4	R679 D680	K677-R679 PolarHBondContact O-N 3.4Å; K677-D680 PolarHBondContact O-N 2.98Å
678	K	32.1	Very low	31.2	Very low	194 Å²	194	119.1 Å²	119.1	84%	0.843	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-11	-179.3	-157.8	163	-173.1	168.8	0	114.5	S676	S676-K678 PolarHBondContact O-N 3.5Å
679	R	30.8	Very low	32.3	Very low	207 Å²	207	114.5 Å²	114.5	78%	0.781	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-29.1	169.4	-77.5	-175.6	174.8	134.2	-1	113.9	S676 K677 V681 R683	S676-R679 PolarHBondContact O-N 3.4Å; K677-R679 PolarHBondContact O-N 3.4Å; R679-V681 PolarHBondContact O-N 3.45Å; R679-R683 PolarHBondContact O-N 2.96Å
680	D	30.8	Very low	33.2	Very low	70 Å²	70	111 Å²	111	37%	0.374	57%	0.573	S	S	.	*	H	α-helix	trans	-74.4	-27.5	-172.2	-59.7	-51.5	0	0	0	113	K677 R683 L684	K677-D680 PolarHBondContact O-N 2.98Å; D680-R683 CarbonylContact O-C 3.48Å; D680-R683 WeakPolarHBondContact O-CB 3.49Å; D680-R683 PolarHBondContact O-N 3.3Å; D680-L684 WeakPolarHBondContact O-CB 3.3Å; D680-L684 PolarHBondContact O-N 3.34Å
681	V	33.1	Very low	34.4	Very low	80 Å²	80	106.5 Å²	106.5	49%	0.485	55%	0.548	S	S	.	.	H	α-helix	trans	-61.9	-49.5	175.9	-178.4	0	0	0	0	111.4	R679 R683 L684 S685	R679-V681 PolarHBondContact O-N 3.45Å; V681-R683 VanDerWaalsContact C-N 3.27Å; V681-R683 PolarHBondContact O-N 3Å; V681-L684 PolarHBondContact O-N 3.4Å; V681-S685 PolarHBondContact O-N 3.49Å
682	H	31.2	Very low	36.1	Very low	148 Å²	148	99.8 Å²	99.8	69%	0.685	51%	0.507	S	S	*	.	H	α-helix	trans	-61.6	-37.5	173.1	-75.9	-68.3	0	0	0	111.7	L684 A686	H682-L684 VanDerWaalsContact C-N 3.32Å; H682-L684 PolarHBondContact O-N 3.36Å; H682-A686 WeakPolarHBondContact O-CB 3.44Å; H682-A686 PolarHBondContact O-N 2.87Å
683	R	28.5	Very low	37.4	Very low	185 Å²	185	101 Å²	101	70%	0.698	49%	0.493	S	S	*	.	H	α-helix	trans	-63.2	-37.6	176.6	-135	177.3	-175.5	-168.1	-1.8	112	R679 D680 V681 T687	R679-R683 PolarHBondContact O-N 2.96Å; D680-R683 CarbonylContact O-C 3.48Å; D680-R683 WeakPolarHBondContact O-CB 3.49Å; D680-R683 PolarHBondContact O-N 3.3Å; V681-R683 VanDerWaalsContact C-N 3.27Å; V681-R683 PolarHBondContact O-N 3Å; R683-T687 WeakPolarHBondContact O-CB 3.16Å; R683-T687 PolarHBondContact O-N 3.19Å; R683-T687 PolarHBondContact O-OG1 3.35Å
684	L	29.7	Very low	38.5	Very low	68 Å²	68	95.1 Å²	95.1	36%	0.356	47%	0.47	S	S	.	.	H	α-helix	trans	-84.9	-29.8	-177.2	-157.7	64.4	0	0	0	113.2	D680 V681 H682 T687 M688	D680-L684 WeakPolarHBondContact O-CB 3.3Å; D680-L684 PolarHBondContact O-N 3.34Å; V681-L684 PolarHBondContact O-N 3.4Å; H682-L684 VanDerWaalsContact C-N 3.32Å; H682-L684 PolarHBondContact O-N 3.36Å; L684-T687 HydrophobicContact CD1-CG2 4.45Å; L684-T687 WeakPolarHBondContact O-CB 3.09Å; L684-T687 PolarHBondContact O-N 3.33Å; L684-M688 PolarHBondContact O-N 2.95Å
685	S	31.6	Very low	38.8	Very low	39 Å²	39	93.7 Å²	93.7	27%	0.273	47%	0.472	S	S	.	.	H	α-helix	trans	-64	-50.2	163.2	160.2	0	0	0	0	110.6	V681 T687 M688 A689	V681-S685 PolarHBondContact O-N 3.49Å; S685-T687 PolarHBondContact O-N 2.89Å; S685-M688 PolarHBondContact O-N 3.33Å; S685-A689 PolarHBondContact O-N 2.93Å
686	A	35.4	Very low	39	Very low	57 Å²	57	89.8 Å²	89.8	47%	0.471	47%	0.469	S	S	.	.	H	α-helix	trans	-60.8	-26.9	173.8	0	0	0	0	0	112.8	H682 S690	H682-A686 WeakPolarHBondContact O-CB 3.44Å; H682-A686 PolarHBondContact O-N 2.87Å; A686-S690 WeakPolarHBondContact O-CB 3.38Å; A686-S690 PolarHBondContact O-N 2.92Å
687	T	41.7	Very low	39.1	Very low	62 Å²	62	95.5 Å²	95.5	38%	0.38	48%	0.479	S	S	.	.	H	α-helix	trans	-70.3	-45.5	171.6	-61	0	0	0	0	111.1	R683 L684 S685 S690 I691	R683-T687 WeakPolarHBondContact O-CB 3.16Å; R683-T687 PolarHBondContact O-N 3.19Å; R683-T687 PolarHBondContact O-OG1 3.35Å; L684-T687 HydrophobicContact CD1-CG2 4.45Å; L684-T687 WeakPolarHBondContact O-CB 3.09Å; L684-T687 PolarHBondContact O-N 3.33Å; S685-T687 PolarHBondContact O-N 2.89Å; T687-S690 PolarHBondContact O-N 2.97Å; T687-I691 HydrophobicContact CG2-CD1 3.76Å; T687-I691 HydrophobicContact CG2-CG1 4.34Å; T687-I691 VanDerWaalsContact O-CB 3.23Å; T687-I691 WeakPolarHBondContact O-CB 3.41Å; T687-I691 WeakPolarHBondContact O-CG1 3.44Å; T687-I691 PolarHBondContact O-N 3.13Å
688	M	38.6	Very low	38.8	Very low	7 Å²	7	94.6 Å²	94.6	3%	0.034	48%	0.482	C	S	.	.	H	α-helix	trans	-60.6	-46.6	172.7	-73.5	-74	-89.6	0	0	111.4	V261 K268 L684 S685 S690 I691 F692	V261-M688 HydrophobicContact CG1-CE 4.08Å; V261-M688 HydrophobicContact CG1-SD 4.12Å; V261-M688 HydrophobicContact CG2-SD 4.37Å; K268-M688 HydrophobicContact CD-CG 4.17Å; K268-M688 HydrophobicContact CG-CE 4.19Å; K268-M688 HydrophobicContact CG-CG 4.19Å; L684-M688 PolarHBondContact O-N 2.95Å; S685-M688 PolarHBondContact O-N 3.33Å; M688-S690 PolarHBondContact O-N 3.48Å; M688-I691 WeakPolarHBondContact O-CB 3.48Å; M688-I691 PolarHBondContact O-N 3.37Å; M688-I691 VanDerWaalsContact O-N 3.13Å; M688-F692 HydrophobicContact CB-CE2 4.47Å; M688-F692 HydrophobicContact CE-CE2 3.91Å; M688-F692 HydrophobicContact CE-CZ 4.37Å; M688-F692 WeakPolarHBondContact O-CD2 3.42Å; M688-F692 PolarHBondContact O-N 3.33Å; M688-F692 VanDerWaalsContact O-N 3.1Å; M688-F692 HydrophobicContact SD-CE2 4.07Å
689	A	47.8	Very low	38.7	Very low	9 Å²	9	94.8 Å²	94.8	7%	0.074	48%	0.483	C	S	.	.	H	α-helix	trans	-57.1	-47.3	174.7	0	0	0	0	0	111.7	S685 I691 F692 R693	S685-A689 PolarHBondContact O-N 2.93Å; A689-I691 VanDerWaalsContact C-N 3.32Å; A689-I691 PolarHBondContact O-N 2.9Å; A689-F692 PolarHBondContact O-N 2.95Å; A689-R693 WeakPolarHBondContact O-CB 3.47Å; A689-R693 VanDerWaalsContact O-CG 3.23Å; A689-R693 WeakPolarHBondContact O-CG 3.38Å; A689-R693 PolarHBondContact O-N 3.31Å
690	S	48.9	Very low	38.6	Very low	90 Å²	90	91.7 Å²	91.7	63%	0.629	48%	0.482	S	S	*	.	H	α-helix	trans	-67	-29.2	176.5	-171.4	0	0	0	0	113.4	A686 T687 M688 F692	A686-S690 WeakPolarHBondContact O-CB 3.38Å; A686-S690 PolarHBondContact O-N 2.92Å; T687-S690 PolarHBondContact O-N 2.97Å; M688-S690 PolarHBondContact O-N 3.48Å; S690-F692 VanDerWaalsContact C-N 3.32Å
691	I	52.9	Low	38.5	Very low	51 Å²	51	97.8 Å²	97.8	26%	0.262	51%	0.505	S	S	.	.	H	α-helix	trans	-69	-29.3	173.9	-82.5	170.6	0	0	0	111.4	K253 V261 T687 M688 A689	K253-I691 WeakPolarHBondContact CE-O 3.47Å; K253-I691 PolarHBondContact NZ-O 3.42Å; V261-I691 HydrophobicContact CG2-CD1 4.27Å; V261-I691 HydrophobicContact CG2-CG2 4.37Å; T687-I691 HydrophobicContact CG2-CD1 3.76Å; T687-I691 HydrophobicContact CG2-CG1 4.34Å; T687-I691 VanDerWaalsContact O-CB 3.23Å; T687-I691 WeakPolarHBondContact O-CB 3.41Å; T687-I691 WeakPolarHBondContact O-CG1 3.44Å; T687-I691 PolarHBondContact O-N 3.13Å; M688-I691 WeakPolarHBondContact O-CB 3.48Å; M688-I691 PolarHBondContact O-N 3.37Å; M688-I691 VanDerWaalsContact O-N 3.13Å; A689-I691 VanDerWaalsContact C-N 3.32Å; A689-I691 PolarHBondContact O-N 2.9Å
692	F	64.9	Low	38.5	Very low	10 Å²	10	100.1 Å²	100.1	4%	0.044	52%	0.52	C	S	.	.	H	α-helix	trans	-104.7	-18.2	-179.1	-59.2	-57.7	0	0	0	114.4	F115 G119 M123 V261 M688 A689 S690 T694	F115-F692 HydrophobicContact CE1-CB 4.02Å; F115-F692 HydrophobicContact CZ-CB 3.75Å; G119-F692 VanDerWaalsContact CA-CD1 3.47Å; G119-F692 VanDerWaalsContact O-CD1 3.27Å; G119-F692 WeakPolarHBondContact O-CD1 3.41Å; G119-F692 WeakPolarHBondContact O-CE1 3.28Å; M123-F692 HydrophobicContact CB-CE1 4.09Å; V261-F692 HydrophobicContact CG1-CZ 3.95Å; M688-F692 HydrophobicContact CB-CE2 4.47Å; M688-F692 HydrophobicContact CE-CE2 3.91Å; M688-F692 HydrophobicContact CE-CZ 4.37Å; M688-F692 WeakPolarHBondContact O-CD2 3.42Å; M688-F692 PolarHBondContact O-N 3.33Å; M688-F692 VanDerWaalsContact O-N 3.1Å; M688-F692 HydrophobicContact SD-CE2 4.07Å; A689-F692 PolarHBondContact O-N 2.95Å; S690-F692 VanDerWaalsContact C-N 3.32Å; F692-T694 VanDerWaalsContact C-N 3.33Å; F692-T694 PolarHBondContact O-N 3.03Å
693	R	56.9	Low	38.2	Very low	82 Å²	82	100.3 Å²	100.3	31%	0.309	53%	0.525	S	S	.	.			trans	-78.3	81.7	171.5	-70.1	175	-160.5	-164.9	3.4	110.2	P85 E112 F115 A689	P85-R693 VanDerWaalsContact CA-NH1 3.3Å; P85-R693 VanDerWaalsContact CB-NH1 3.28Å; P85-R693 PolarHBondContact O-NH1 2.99Å; P85-R693 VanDerWaalsContact O-NH1 3.09Å; P85-R693 PolarHBondContact O-NH2 3.17Å; E112-R693 IonicContact OE2-NH2 2.86Å; E112-R693 PolarHBondContact OE2-NH2 3.42Å; F115-R693 HydrophobicContact CE1-CG 3.73Å; F115-R693 HydrophobicContact CE2-CG 4.45Å; F115-R693 HydrophobicContact CZ-CB 4.44Å; F115-R693 HydrophobicContact CZ-CG 3.43Å; F115-R693 VanDerWaalsContact CZ-CG 3.43Å; A689-R693 WeakPolarHBondContact O-CB 3.47Å; A689-R693 VanDerWaalsContact O-CG 3.23Å; A689-R693 WeakPolarHBondContact O-CG 3.38Å; A689-R693 PolarHBondContact O-N 3.31Å
694	T	52.3	Low	38.4	Very low	63 Å²	63	99.1 Å²	99.1	39%	0.387	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-53.3	133.3	163.4	47.8	0	0	0	0	110	Q82 F692 S696	Q82-T694 PolarHBondContact NE2-OG1 3.41Å; F692-T694 VanDerWaalsContact C-N 3.33Å; F692-T694 PolarHBondContact O-N 3.03Å; T694-S696 PolarHBondContact O-N 2.93Å
695	P	35.9	Very low	38.3	Very low	115 Å²	115	101.9 Å²	101.9	75%	0.747	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-54.7	133.6	171	-24.9	34.4	0	0	0	110.7	R697	P695-R697 PolarHBondContact O-N 2.92Å
696	S	32.1	Very low	38.5	Very low	116 Å²	116	109.3 Å²	109.3	81%	0.811	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-55.2	136.3	-176.6	-177.1	0	0	0	0	111.5	T694	T694-S696 PolarHBondContact O-N 2.93Å
697	R	31.3	Very low	38.3	Very low	197 Å²	197	111.8 Å²	111.8	74%	0.743	59%	0.592	S	S	*	*			trans	-119.1	21.6	-158.4	-152.8	-166.4	132.1	-177.4	-5.4	114.1	P695	P695-R697 PolarHBondContact O-N 2.92Å
698	D	28.3	Very low	38	Very low	137 Å²	137	113.5 Å²	113.5	73%	0.733	61%	0.606	S	S	*	*			trans	-105.4	99.5	-180	-68.6	-60.7	0	0	0	112.8
699	K	31.1	Very low	37.8	Very low	198 Å²	198	118.5 Å²	118.5	86%	0.861	64%	0.638	S	S	*	*			trans	-135	108.6	147.6	-78.4	-161.6	175.1	-172.7	0	108.6	F701	K699-F701 PolarHBondContact O-N 3.45Å
700	N	28.4	Very low	37.2	Very low	142 Å²	142	123.9 Å²	123.9	76%	0.759	67%	0.665	S	S	*	*			trans	-59.4	129.4	178.9	-66.9	-34.8	0	0	0	111.1
701	F	27.6	Very low	36.6	Very low	198 Å²	198	128.1 Å²	128.1	87%	0.868	68%	0.675	S	S	*	*			trans	-127.1	76	159	-99.9	-76.5	0	0	0	108.6	K699	K699-F701 PolarHBondContact O-N 3.45Å
702	T	32.6	Very low	35.7	Very low	129 Å²	129	129.4 Å²	129.4	79%	0.791	70%	0.7	S	S	*	*			trans	-64.4	136.4	164.9	-9.6	0	0	0	0	108.8
703	L	26.4	Very low	34.4	Very low	151 Å²	151	135.2 Å²	135.2	79%	0.791	74%	0.736	S	S	*	*			trans	-63.9	147.8	178.2	-75.8	69.7	0	0	0	110.7
704	N	31.4	Very low	33.2	Very low	160 Å²	160	139.4 Å²	139.4	86%	0.856	77%	0.765	S	S	*	*			trans	-146.8	146.5	135.9	-140.5	-15	0	0	0	111.4
705	N	28.1	Very low	32.4	Very low	127 Å²	127	140.3 Å²	140.3	68%	0.679	79%	0.787	S	S	*	*			trans	-87	146.7	-172.3	-70.4	-38	0	0	0	112.4
706	Q	36.1	Very low	32.1	Very low	195 Å²	195	141.3 Å²	141.3	91%	0.911	80%	0.797	S	S	*	*				-164.2	151.7	123.8	-106.5	146.9	98.7	0	0	113.1
707	S	31.6	Very low	32.2	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	79%	0.788	S	S	*	*			trans	-74.4	156.6	-177.1	49	0	0	0	0	112.8
708	S	34.5	Very low	32.4	Very low	97 Å²	97	136.5 Å²	136.5	68%	0.678	79%	0.789	S	S	*	*				173.8	163.3	68.4	41.8	0	0	0	0	111.9
709	T	35.2	Very low	32.6	Very low	113 Å²	113	136.7 Å²	136.7	69%	0.693	79%	0.79	S	S	*	*			trans	29	140.5	146.7	54.1	0	0	0	0	121.4
710	D	34.7	Very low	32.8	Very low	122 Å²	122	134.3 Å²	134.3	65%	0.652	79%	0.792	S	S	*	*			cis	-166.3	168.8	8	-112.3	-29.9	0	0	0	113.7
711	H	35.5	Very low	33.2	Very low	179 Å²	179	134.1 Å²	134.1	83%	0.829	80%	0.797	S	S	*	*			trans	39.3	139.9	155.1	-56.4	-35.9	0	0	0	123.7
712	G	34.6	Very low	33.6	Very low	77 Å²	77	128.4 Å²	128.4	79%	0.794	79%	0.794	S	S	*	*			trans	172.8	54.6	169.4	0	0	0	0	0	121.4
713	T	38.1	Very low	33.7	Very low	132 Å²	132	128.1 Å²	128.1	81%	0.81	80%	0.797	S	S	*	*			trans	3.2	126.9	162.4	52.2	0	0	0	0	123.7
714	N	32.6	Very low	33.9	Very low	170 Å²	170	130.7 Å²	130.7	91%	0.909	80%	0.797	S	S	*	*			trans	17.4	137.7	136.5	-60.3	-12.8	0	0	0	122.9
715	G	34.5	Very low	34.1	Very low	82 Å²	82	134.7 Å²	134.7	85%	0.845	80%	0.801	S	S	*	*			trans	-162.7	147.5	157.4	0	0	0	0	0	112.5
716	S	30.3	Very low	34.3	Very low	137 Å²	137	133 Å²	133	96%	0.958	80%	0.798	S	S	*	*			trans	-148.2	147.4	-176.1	-174.7	0	0	0	0	113.8
717	G	33.2	Very low	34.2	Very low	60 Å²	60	130.9 Å²	130.9	62%	0.619	79%	0.792	S	S	*	*			trans	122.5	166.1	171.4	0	0	0	0	0	114.6
718	I	35.7	Very low	34.2	Very low	152 Å²	152	134.3 Å²	134.3	78%	0.779	79%	0.793	S	S	*	*			cis	-169.1	138.7	-27.2	-118	157.3	0	0	0	108.1
719	N	32.9	Very low	34	Very low	141 Å²	141	141 Å²	141	75%	0.754	80%	0.803	S	S	*	*			trans	46.1	145.5	158.1	-58.5	-11.6	0	0	0	124.2
720	T	35.3	Very low	33.7	Very low	147 Å²	147	147.5 Å²	147.5	90%	0.902	82%	0.815	S	S	*	*			trans	-155.6	169.2	148.5	-7.9	0	0	0	0	110
721	T	35.9	Very low	33.5	Very low	139 Å²	139	150.2 Å²	150.2	85%	0.853	82%	0.824	S	S	*	*			trans	-144.2	137.4	-156	57	0	0	0	0	117.3
722	G	35.7	Very low	33.5	Very low	78 Å²	78	146.1 Å²	146.1	80%	0.804	81%	0.813	S	S	*	*			trans	159.2	143.7	160	0	0	0	0	0	113.7
723	S	34.7	Very low	33.2	Very low	122 Å²	122	148.7 Å²	148.7	85%	0.853	81%	0.814	S	S	*	*			cis	-154.7	-178.8	-6.4	-163.1	0	0	0	0	111.9
724	Y	31.9	Very low	32.9	Very low	205 Å²	205	146.8 Å²	146.8	80%	0.804	81%	0.805	S	S	*	*			trans	-104.6	152.2	-156.7	-77.6	-100.3	0	0	0	117.8
725	R	34.5	Very low	32.8	Very low	245 Å²	245	143.6 Å²	143.6	93%	0.925	80%	0.796	S	S	*	*				168.4	141.3	118.4	-87.9	162.9	-164.9	-131.1	4.7	109.7
726	S	31.8	Very low	32.4	Very low	90 Å²	90	144.5 Å²	144.5	63%	0.629	79%	0.79	S	S	*	*			cis	132.2	151.3	-7.3	-79.4	0	0	0	0	110.7
727	I	34.6	Very low	32.5	Very low	151 Å²	151	143.9 Å²	143.9	77%	0.774	79%	0.785	S	S	*	*			trans	73.8	135.1	-178	-65	171.1	0	0	0	113
728	K	32.6	Very low	32.2	Very low	182 Å²	182	151.9 Å²	151.9	79%	0.791	80%	0.797	S	S	*	*			cis	-151.9	152.5	-16	-94.9	165.6	-166.9	169.9	0	105
729	R	29.7	Very low	31.9	Very low	237 Å²	237	150.1 Å²	150.1	89%	0.894	79%	0.793	S	S	*	*			cis	99.1	86.4	28.7	-160.7	-167.9	-157.2	-150.7	7.9	115.5
730	R	29.5	Very low	31.7	Very low	249 Å²	249	151.9 Å²	151.9	94%	0.94	80%	0.797	S	S	*	*			trans	-167.4	139.1	132.7	-110.2	-177.9	-173.1	-142.8	1.8	114.5
731	Q	29.7	Very low	31.5	Very low	179 Å²	179	153.7 Å²	153.7	84%	0.836	80%	0.795	S	S	*	*			trans	-136.8	-166.2	158.5	-116.6	-160.7	25.6	0	0	104.3
732	P	35	Very low	31.2	Very low	93 Å²	93	155.7 Å²	155.7	60%	0.604	80%	0.795	S	S	*	*			cis	-139.6	-167.2	7.2	26.3	2	0	0	0	114.6
733	V	29.4	Very low	31.1	Very low	132 Å²	132	159.9 Å²	159.9	80%	0.8	80%	0.798	S	S	*	*			trans	50.2	157.8	149.9	-72.6	0	0	0	0	121.8
734	S	30.6	Very low	31	Very low	91 Å²	91	159.2 Å²	159.2	64%	0.636	79%	0.793	S	S	*	*			cis	-167.9	171.4	-11.2	45.1	0	0	0	0	110.2
735	S	31.3	Very low	30.9	Very low	103 Å²	103	153 Å²	153	72%	0.72	79%	0.791	S	S	*	*			trans	63.3	164.1	151.3	48.7	0	0	0	0	118.9
736	S	26.8	Very low	31	Very low	102 Å²	102	147.5 Å²	147.5	71%	0.713	79%	0.787	S	S	*	*			cis	-173.2	153.7	-29.8	-85.9	0	0	0	0	108.4
737	S	31.6	Very low	31.1	Very low	123 Å²	123	148.3 Å²	148.3	86%	0.86	79%	0.791	S	S	*	*			trans	61	171.1	165.2	65.8	0	0	0	0	117.3
738	R	26.5	Very low	30.9	Very low	229 Å²	229	148.6 Å²	148.6	86%	0.864	79%	0.793	S	S	*	*			cis	-172.4	176	-38.6	-173.8	173.7	-176.6	-168.8	1.6	106
739	T	30.4	Very low	30.9	Very low	114 Å²	114	145.6 Å²	145.6	70%	0.699	79%	0.792	S	S	*	*			trans	64.9	127.2	176	44.2	0	0	0	0	115.4
740	Q	27.3	Very low	31.1	Very low	179 Å²	179	139.7 Å²	139.7	84%	0.836	78%	0.784	S	S	*	*			cis	80.6	99.9	47.3	-75.3	-170.6	-41.4	0	0	115.4
741	Q	32.7	Very low	31.2	Very low	184 Å²	184	135 Å²	135	86%	0.86	77%	0.766	S	S	*	*			trans	-178.1	119.2	132.3	-95.8	157.4	12.8	0	0	106.4
742	Q	29.5	Very low	31.2	Very low	182 Å²	182	132.3 Å²	132.3	85%	0.85	76%	0.764	S	S	*	*				60	112.8	76.6	-87.3	-167.1	-24.5	0	0	115.1
743	L	32.2	Very low	31.1	Very low	166 Å²	166	131 Å²	131	87%	0.869	76%	0.758	S	S	*	*				-171.2	136.7	126.7	-100.5	156.8	0	0	0	111.6
744	S	33.5	Very low	31.3	Very low	108 Å²	108	130.3 Å²	130.3	76%	0.755	76%	0.756	S	S	*	*			trans	17.5	136.8	156.4	51.6	0	0	0	0	121.2
745	G	30.4	Very low	31.2	Very low	73 Å²	73	130.5 Å²	130.5	75%	0.753	75%	0.753	S	S	*	*			cis	97.5	155	22.6	0	0	0	0	0	112
746	P	35.3	Very low	31	Very low	130 Å²	130	131 Å²	131	84%	0.844	75%	0.752	S	S	*	*			cis	-129.5	-175.8	11.2	42.8	-26.4	0	0	0	115.8
747	P	33.9	Very low	31	Very low	108 Å²	108	134 Å²	134	70%	0.701	76%	0.759	S	S	*	*			trans	-128	173.1	-174.8	43.1	-30.1	0	0	0	117.3
748	L	31.6	Very low	30.8	Very low	157 Å²	157	132.1 Å²	132.1	82%	0.822	75%	0.751	S	S	*	*			trans	66.8	175	159.1	-75.4	168.5	0	0	0	116
749	P	32.6	Very low	30.7	Very low	119 Å²	119	128 Å²	128	77%	0.773	75%	0.746	S	S	*	*			cis	-134.7	-174.8	17.7	43.2	-23	0	0	0	117.5
750	P	33.3	Very low	30.7	Very low	112 Å²	112	132.4 Å²	132.4	73%	0.727	76%	0.756	S	S	*	*			trans	-116.9	172.5	-170.7	42.5	-33.1	0	0	0	116.9
751	R	30.8	Very low	30.5	Very low	151 Å²	151	130.1 Å²	130.1	57%	0.57	75%	0.75	S	S	*	*			trans	43.5	140.6	155.7	-138.3	-168	-178.8	165.4	8.7	120	M335 M336	M335-R751 PolarHBondContact O-NH1 3.29Å; M336-R751 PolarHBondContact O-NH1 3.42Å; M336-R751 VanDerWaalsContact O-NH1 3.14Å; M336-R751 PolarHBondContact O-NH2 3.44Å
752	P	31	Very low	30.2	Very low	122 Å²	122	128.1 Å²	128.1	79%	0.792	74%	0.744	S	S	*	*				-144.7	176.6	104.8	38.9	-25.2	0	0	0	115.5
753	S	32	Very low	30	Very low	67 Å²	67	125.4 Å²	125.4	47%	0.469	74%	0.74	S	S	.	*			trans	-119.1	152.2	165.1	-57.5	0	0	0	0	108.9
754	P	34.2	Very low	29.7	Very low	116 Å²	116	121.7 Å²	121.7	75%	0.753	74%	0.741	S	S	*	*				-137.9	164.5	105.2	35.3	-20.8	0	0	0	112.1
755	T	28.5	Very low	29.4	Very low	96 Å²	96	120 Å²	120	59%	0.589	74%	0.741	S	S	*	*			cis	85.4	142.4	26.4	-37.8	0	0	0	0	114.8
756	V	26.6	Very low	29.1	Very low	113 Å²	113	123.2 Å²	123.2	69%	0.685	75%	0.752	S	S	*	*			trans	97.2	114.3	160	-170.8	0	0	0	0	119.2
757	L	27.1	Very low	28.7	Very low	164 Å²	164	120.4 Å²	120.4	86%	0.859	75%	0.747	S	S	*	*			trans	64.6	155.3	153.4	-67.4	171	0	0	0	119.7
758	A	28.1	Very low	28.5	Very low	85 Å²	85	120.7 Å²	120.7	70%	0.702	76%	0.759	S	S	*	*			cis	-158.5	166.9	-10.3	0	0	0	0	0	113.4
759	N	25	Very low	28.3	Very low	141 Å²	141	116.7 Å²	116.7	75%	0.754	76%	0.755	S	S	*	*			trans	-58.1	145.5	174.3	-46.8	-23.7	0	0	0	115.2
760	F	28.4	Very low	28.2	Very low	207 Å²	207	118.1 Å²	118.1	91%	0.908	76%	0.761	S	S	*	*			trans	-177.7	114.3	138.7	-86.1	-65.4	0	0	0	105.7
761	N	24	Very low	28.1	Very low	132 Å²	132	116.1 Å²	116.1	71%	0.706	76%	0.761	S	S	*	*			cis	78.1	129	18.7	-147.3	21	0	0	0	115.5
762	L	26.9	Very low	28.3	Very low	141 Å²	141	114.9 Å²	114.9	74%	0.738	77%	0.769	S	S	*	*			trans	71.6	153.1	178.8	-46.7	171.5	0	0	0	115.7
763	T	25.4	Very low	28.4	Very low	126 Å²	126	115.2 Å²	115.2	77%	0.773	77%	0.765	S	S	*	*			cis	-167.8	144.1	-22.2	24.9	0	0	0	0	109.7
764	G	26.2	Very low	28.4	Very low	87 Å²	87	118.7 Å²	118.7	90%	0.897	77%	0.774	S	S	*	*			trans	71.7	172.4	161	0	0	0	0	0	117
765	G	25.4	Very low	28.3	Very low	73 Å²	73	120.5 Å²	120.5	75%	0.753	77%	0.772	S	S	*	*			cis	158.3	104.8	-11.3	0	0	0	0	0	115
766	S	25.8	Very low	28.4	Very low	140 Å²	140	122.8 Å²	122.8	98%	0.979	78%	0.78	S	S	*	*			trans	66	168.6	171.3	-156.4	0	0	0	0	117.1
767	G	26.7	Very low	28.5	Very low	71 Å²	71	122.4 Å²	122.4	73%	0.732	78%	0.782	S	S	*	*			trans	113.3	109.8	168.8	0	0	0	0	0	116
768	A	28	Very low	28.8	Very low	115 Å²	115	120.5 Å²	120.5	95%	0.95	78%	0.78	S	S	*	*			trans	-78.3	161.5	173.8	0	0	0	0	0	113.1
769	G	28.6	Very low	28.8	Very low	72 Å²	72	122.2 Å²	122.2	74%	0.742	79%	0.786	S	S	*	*			trans	-172.4	41.6	-175.8	0	0	0	0	0	120.9
770	V	29.7	Very low	28.9	Very low	150 Å²	150	121 Å²	121	91%	0.909	79%	0.789	S	S	*	*			trans	48.7	118.5	150.8	-175.1	0	0	0	0	121
771	G	32.4	Very low	28.9	Very low	69 Å²	69	119.8 Å²	119.8	71%	0.711	79%	0.786	S	S	*	*			trans	105.8	153	135.1	0	0	0	0	0	118.8
772	V	35	Very low	28.9	Very low	125 Å²	125	120.3 Å²	120.3	76%	0.758	79%	0.788	S	S	*	*			cis	-152.3	136.8	-5.9	-175.3	0	0	0	0	110.2
773	N	32.1	Very low	28.9	Very low	130 Å²	130	119.4 Å²	119.4	70%	0.695	79%	0.794	S	S	*	*			trans	60.8	158.7	164.9	-74.9	20.5	0	0	0	118.7
774	E	32.6	Very low	29	Very low	140 Å²	140	121.5 Å²	121.5	65%	0.654	79%	0.793	S	S	*	*			cis	-144.4	137.2	10	-152.4	143.1	-129.8	0	0	113.5
775	Q	31.5	Very low	29.1	Very low	154 Å²	154	125 Å²	125	72%	0.72	79%	0.791	S	S	*	*			trans	40.8	143.1	144.4	-64.3	179.7	35.7	0	0	121.6
776	L	30.8	Very low	29.3	Very low	144 Å²	144	126.2 Å²	126.2	75%	0.754	79%	0.785	S	S	*	*			cis	-155.7	159.6	7.4	-118	161.3	0	0	0	110.4
777	S	29.4	Very low	29.4	Very low	104 Å²	104	126.7 Å²	126.7	73%	0.727	78%	0.777	S	S	*	*			trans	-145.5	174.5	175	-48.8	0	0	0	0	109.1
778	P	33.8	Very low	29.6	Very low	125 Å²	125	128.5 Å²	128.5	81%	0.812	78%	0.778	S	S	*	*				-151.4	174.8	81.9	39.5	-20.3	0	0	0	116.1
779	S	27.5	Very low	29.7	Very low	120 Å²	120	130.2 Å²	130.2	84%	0.839	77%	0.771	S	S	*	*			trans	-110.8	156.6	168.4	-55.4	0	0	0	0	111.6
780	S	27.3	Very low	29.7	Very low	117 Å²	117	133.8 Å²	133.8	82%	0.818	77%	0.771	S	S	*	*			trans	-71.5	146.8	177.1	-41.5	0	0	0	0	113.1
781	Q	28	Very low	29.8	Very low	181 Å²	181	132.2 Å²	132.2	85%	0.846	76%	0.762	S	S	*	*				-167.6	131.2	127.3	-108.7	178.5	40.5	0	0	114.6
782	L	24.8	Very low	29.8	Very low	142 Å²	142	136 Å²	136	74%	0.743	77%	0.766	S	S	*	*			trans	22.6	121.3	144.2	-65.8	163	0	0	0	120.9	F784	L782-F784 HydrophobicContact CD2-CE2 4.48Å
783	S	26.7	Very low	29.7	Very low	122 Å²	122	133.3 Å²	133.3	85%	0.853	76%	0.757	S	S	*	*			trans	-148.9	146.2	136.5	-170.4	0	0	0	0	110
784	F	26	Very low	29.9	Very low	171 Å²	171	132.1 Å²	132.1	75%	0.75	76%	0.759	S	S	*	*			trans	-93.5	147	-178	-74.3	-106.4	0	0	0	111.7	L782	L782-F784 HydrophobicContact CD2-CE2 4.48Å
785	N	29.8	Very low	29.9	Very low	160 Å²	160	132 Å²	132	86%	0.856	76%	0.762	S	S	*	*				-170.9	150.2	123.2	-96.5	-20.7	0	0	0	112.2
786	P	29	Very low	30	Very low	98 Å²	98	131.6 Å²	131.6	64%	0.636	77%	0.765	S	S	*	*			trans	-98.1	-170.8	177	40.7	-36.7	0	0	0	113.6
787	D	27.7	Very low	29.9	Very low	151 Å²	151	131.3 Å²	131.3	81%	0.807	76%	0.763	S	S	*	*			trans	73.6	79.1	156.5	-56.8	-24.6	0	0	0	121.3
788	S	32	Very low	30	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	76%	0.763	S	S	*	*			trans	-168.6	106.4	134.3	60.9	0	0	0	0	110
789	L	28.3	Very low	29.8	Very low	151 Å²	151	132.8 Å²	132.8	79%	0.791	76%	0.764	S	S	*	*				65	110	86.7	-68.9	168.8	0	0	0	115.4
790	I	28.8	Very low	29.9	Very low	147 Å²	147	132.1 Å²	132.1	75%	0.754	76%	0.759	S	S	*	*				45.2	131.1	121.1	-61.5	175.4	0	0	0	117
791	T	31.8	Very low	30.3	Very low	117 Å²	117	134.2 Å²	134.2	72%	0.718	76%	0.761	S	S	*	*			cis	-124.5	-165.5	23	38	0	0	0	0	112.3
792	D	33.6	Very low	30.9	Very low	147 Å²	147	133.9 Å²	133.9	79%	0.786	76%	0.76	S	S	*	*			cis	-164.3	174.6	-8.5	-112.2	-6.1	0	0	0	106.9
793	A	33.3	Very low	31.8	Very low	70 Å²	70	129.2 Å²	129.2	58%	0.579	74%	0.738	S	S	*	*			cis	-169.4	168.5	-22.7	0	0	0	0	0	109.8
794	S	35.4	Very low	32.8	Very low	105 Å²	105	126.2 Å²	126.2	73%	0.734	72%	0.717	S	S	*	*			trans	74.5	136.4	162.2	-60.6	0	0	0	0	118
795	N	33	Very low	33.9	Very low	136 Å²	136	122.3 Å²	122.3	73%	0.727	71%	0.711	S	S	*	*			cis	-165.7	158.5	-7.8	-127.9	-32	0	0	0	113.5
796	L	32.9	Very low	35	Very low	146 Å²	146	121.4 Å²	121.4	76%	0.764	70%	0.701	S	S	*	*			trans	68.2	150.7	163.3	-55.5	167	0	0	0	119.7
797	L	29.8	Very low	36.1	Very low	139 Å²	139	118.8 Å²	118.8	73%	0.728	68%	0.683	S	S	*	*			cis	-170.7	153	-45.7	-118.5	-172.3	0	0	0	110.8
798	I	31.3	Very low	37.4	Very low	142 Å²	142	115 Å²	115	73%	0.728	66%	0.663	S	S	*	*			trans	66.8	111.7	162.3	-52.4	156.5	0	0	0	116.3
799	S	29.9	Very low	38.8	Very low	117 Å²	117	115.3 Å²	115.3	82%	0.818	66%	0.655	S	S	*	*				-162.4	171.6	85.6	-62.8	0	0	0	0	112.8
800	S	28.3	Very low	40.1	Very low	106 Å²	106	113.8 Å²	113.8	74%	0.741	65%	0.647	S	S	*	*			trans	-81.3	125.7	-172.3	53.4	0	0	0	0	115.7
801	D	35.3	Very low	41.5	Very low	161 Å²	161	107.2 Å²	107.2	86%	0.861	61%	0.613	S	S	*	*				169.6	92.2	128.9	-90.4	-5.8	0	0	0	107.9
802	Q	40.8	Very low	42.9	Very low	175 Å²	175	103.5 Å²	103.5	82%	0.818	60%	0.598	S	S	*	*			trans	-110.5	130.8	-171.9	-159.6	173.5	26.1	0	0	111.1
803	P	44.5	Very low	44.4	Very low	44 Å²	44	99.7 Å²	99.7	29%	0.286	58%	0.58	S	S	.	*			trans	-60.8	147.6	172.9	25.5	-34.1	0	0	0	110.9	T807 L808	P803-T807 HydrophobicContact CB-CG2 3.76Å; P803-L808 HydrophobicContact CG-CD2 3.95Å; P803-L808 HydrophobicContact CG-CG 4.18Å
804	S	48	Very low	45.6	Very low	58 Å²	58	99.6 Å²	99.6	41%	0.406	57%	0.569	S	S	.	*			trans	-57.9	155.6	-177.8	65.7	0	0	0	0	112.5	E806 T807 L808	S804-E806 PolarHBondContact O-N 3.31Å; S804-T807 WeakPolarHBondContact O-CA 3.22Å; S804-T807 WeakPolarHBondContact O-CB 3.45Å; S804-T807 PolarHBondContact O-N 3.34Å; S804-T807 PolarHBondContact OG-N 3.22Å; S804-T807 PolarHBondContact OG-OG1 2.97Å; S804-L808 PolarHBondContact O-N 3.26Å
805	S	48.7	Very low	47	Very low	89 Å²	89	98 Å²	98	62%	0.622	55%	0.552	S	S	*	*	H	α-helix	trans	-54.3	-37.8	174.1	48	0	0	0	0	112.1	L808 I809	S805-L808 PolarHBondContact O-N 3.01Å; S805-I809 WeakPolarHBondContact O-CB 3.45Å; S805-I809 WeakPolarHBondContact O-CD1 3.21Å; S805-I809 VanDerWaalsContact O-CG1 3.23Å; S805-I809 WeakPolarHBondContact O-CG1 3.32Å; S805-I809 PolarHBondContact O-N 2.68Å
806	E	52	Low	48.7	Very low	142 Å²	142	98.6 Å²	98.6	66%	0.664	55%	0.551	S	S	*	*	H	α-helix	trans	-61.7	-43.8	172.4	-62.4	178	140.3	0	0	112.3	S804 L808 I809 L810	S804-E806 PolarHBondContact O-N 3.31Å; E806-L808 VanDerWaalsContact C-N 3.34Å; E806-L808 PolarHBondContact O-N 3.04Å; E806-I809 PolarHBondContact O-N 2.82Å; E806-L810 VanDerWaalsContact O-CB 3.3Å; E806-L810 WeakPolarHBondContact O-CB 3.38Å; E806-L810 WeakPolarHBondContact O-CG 3.11Å; E806-L810 PolarHBondContact O-N 3.35Å
807	T	52.4	Low	50.2	Low	42 Å²	42	96.2 Å²	96.2	26%	0.258	54%	0.538	S	S	.	.	H	α-helix	trans	-62.8	-39.5	175.6	-56.2	0	0	0	0	111.6	L621 P803 S804 L811	L621-T807 HydrophobicContact CD1-CG2 4.49Å; L621-T807 HydrophobicContact CD2-CG2 3.72Å; P803-T807 HydrophobicContact CB-CG2 3.76Å; S804-T807 WeakPolarHBondContact O-CA 3.22Å; S804-T807 WeakPolarHBondContact O-CB 3.45Å; S804-T807 PolarHBondContact O-N 3.34Å; S804-T807 PolarHBondContact OG-N 3.22Å; S804-T807 PolarHBondContact OG-OG1 2.97Å; T807-L811 VanDerWaalsContact O-CB 3.31Å; T807-L811 WeakPolarHBondContact O-CB 3.43Å; T807-L811 PolarHBondContact O-N 3.48Å
808	L	54.5	Low	51.7	Low	73 Å²	73	90 Å²	90	38%	0.382	51%	0.507	S	S	.	.	H	α-helix	trans	-70.1	-37.7	176.2	-71.2	173.5	0	0	0	112.5	P803 S804 S805 E806 L811 G812	P803-L808 HydrophobicContact CG-CD2 3.95Å; P803-L808 HydrophobicContact CG-CG 4.18Å; S804-L808 PolarHBondContact O-N 3.26Å; S805-L808 PolarHBondContact O-N 3.01Å; E806-L808 VanDerWaalsContact C-N 3.34Å; E806-L808 PolarHBondContact O-N 3.04Å; L808-L811 PolarHBondContact O-N 2.88Å; L808-G812 PolarHBondContact O-N 3.49Å
809	I	62.3	Low	53.4	Low	115 Å²	115	85.9 Å²	85.9	59%	0.59	50%	0.499	S	S	*	.	H	α-helix	trans	-66.3	-44.9	173.2	-70.6	163	0	0	0	110.3	S805 E806 L811 G812 V813	S805-I809 WeakPolarHBondContact O-CB 3.45Å; S805-I809 WeakPolarHBondContact O-CD1 3.21Å; S805-I809 VanDerWaalsContact O-CG1 3.23Å; S805-I809 WeakPolarHBondContact O-CG1 3.32Å; S805-I809 PolarHBondContact O-N 2.68Å; E806-I809 PolarHBondContact O-N 2.82Å; I809-L811 PolarHBondContact O-N 3.27Å; I809-G812 PolarHBondContact O-N 3.1Å; I809-V813 WeakPolarHBondContact O-CG2 3.48Å; I809-V813 PolarHBondContact O-N 3.2Å
810	L	55.8	Low	55.2	Low	119 Å²	119	82.9 Å²	82.9	62%	0.623	48%	0.481	S	S	*	.	H	α-helix	trans	-59.2	-45.5	174.4	-84.2	161.5	0	0	0	111.4	E806 G812 V813 L814	E806-L810 VanDerWaalsContact O-CB 3.3Å; E806-L810 WeakPolarHBondContact O-CB 3.38Å; E806-L810 WeakPolarHBondContact O-CG 3.11Å; E806-L810 PolarHBondContact O-N 3.35Å; L810-G812 VanDerWaalsContact C-N 3.33Å; L810-G812 PolarHBondContact O-N 3.4Å; L810-V813 PolarHBondContact O-N 3.16Å; L810-L814 VanDerWaalsContact O-CB 3.31Å; L810-L814 WeakPolarHBondContact O-CB 3.21Å; L810-L814 PolarHBondContact O-N 3.12Å
811	L	57.8	Low	57	Low	9 Å²	9	81 Å²	81	5%	0.047	46%	0.463	C	S	.	.	H	α-helix	trans	-63.4	-37.5	175.1	-178.2	60.1	0	0	0	111.9	L621 L622 T807 L808 I809 L814 N815	L621-L811 HydrophobicContact CB-CD2 4.03Å; L621-L811 HydrophobicContact CD1-CD1 4.16Å; L621-L811 HydrophobicContact CD1-CD2 4.47Å; L622-L811 HydrophobicContact CD1-CD2 4.23Å; L622-L811 HydrophobicContact CD2-CD2 3.89Å; L622-L811 HydrophobicContact CG-CD2 3.93Å; T807-L811 VanDerWaalsContact O-CB 3.31Å; T807-L811 WeakPolarHBondContact O-CB 3.43Å; T807-L811 PolarHBondContact O-N 3.48Å; L808-L811 PolarHBondContact O-N 2.88Å; I809-L811 PolarHBondContact O-N 3.27Å; L811-L814 PolarHBondContact O-N 2.85Å; L811-N815 VanDerWaalsContact O-CB 3.28Å; L811-N815 WeakPolarHBondContact O-CB 3.33Å; L811-N815 PolarHBondContact O-N 2.86Å; L811-N815 PolarHBondContact O-ND2 2.89Å
812	G	60.7	Low	58.8	Low	38 Å²	38	75.1 Å²	75.1	39%	0.392	43%	0.429	S	S	.	.	H	α-helix	trans	-61	-48.1	172.5	0	0	0	0	0	112.7	L808 I809 L810 N815 Q816	L808-G812 PolarHBondContact O-N 3.49Å; I809-G812 PolarHBondContact O-N 3.1Å; L810-G812 VanDerWaalsContact C-N 3.33Å; L810-G812 PolarHBondContact O-N 3.4Å; G812-N815 PolarHBondContact O-N 3.37Å; G812-Q816 WeakPolarHBondContact O-CB 3.41Å; G812-Q816 PolarHBondContact O-N 3.36Å
813	V	65.3	Low	60.3	Low	67 Å²	67	70.5 Å²	70.5	41%	0.406	41%	0.414	S	S	.	.	H	α-helix	trans	-64.8	-40.3	175.4	172.8	0	0	0	0	111.2	I809 L810 Q816 I817	I809-V813 WeakPolarHBondContact O-CG2 3.48Å; I809-V813 PolarHBondContact O-N 3.2Å; L810-V813 PolarHBondContact O-N 3.16Å; V813-Q816 PolarHBondContact O-N 2.85Å; V813-I817 HydrophobicContact CG1-CD1 3.82Å; V813-I817 HydrophobicContact CG1-CG1 4.42Å; V813-I817 VanDerWaalsContact O-CG1 3.32Å; V813-I817 WeakPolarHBondContact O-CG1 3.39Å; V813-I817 PolarHBondContact O-N 3.31Å
814	L	59.1	Low	61.5	Low	68 Å²	68	74.1 Å²	74.1	36%	0.356	43%	0.428	S	S	.	.	H	α-helix	trans	-63.7	-42.4	177	-149.5	80.6	0	0	0	111.2	F614 L617 L810 L811 I817 A818	F614-L814 HydrophobicContact CD2-CD2 4.09Å; F614-L814 HydrophobicContact CE2-CD2 3.8Å; F614-L814 HydrophobicContact CE2-CG 3.95Å; L617-L814 HydrophobicContact CD2-CD2 3.84Å; L810-L814 VanDerWaalsContact O-CB 3.31Å; L810-L814 WeakPolarHBondContact O-CB 3.21Å; L810-L814 PolarHBondContact O-N 3.12Å; L811-L814 PolarHBondContact O-N 2.85Å; L814-I817 PolarHBondContact O-N 2.94Å; L814-A818 WeakPolarHBondContact O-CB 3.1Å; L814-A818 PolarHBondContact O-N 2.9Å
815	N	64.3	Low	62.4	Low	71 Å²	71	73.5 Å²	73.5	38%	0.38	42%	0.419	S	S	.	.	H	α-helix	trans	-65.6	-35.6	173.7	-75.3	-24.2	0	0	0	112.2	F614 L811 G812 G819	F614-N815 WeakPolarHBondContact CZ-OD1 3.21Å; L811-N815 VanDerWaalsContact O-CB 3.28Å; L811-N815 WeakPolarHBondContact O-CB 3.33Å; L811-N815 PolarHBondContact O-N 2.86Å; L811-N815 PolarHBondContact O-ND2 2.89Å; G812-N815 PolarHBondContact O-N 3.37Å; N815-G819 PolarHBondContact O-N 3.41Å
816	Q	68.3	Low	63.5	Low	150 Å²	150	74.2 Å²	74.2	70%	0.701	41%	0.413	S	S	*	.	H	α-helix	trans	-71.1	-40.5	176.6	-167.4	173.6	22	0	0	112	G812 V813 G819 A820	G812-Q816 WeakPolarHBondContact O-CB 3.41Å; G812-Q816 PolarHBondContact O-N 3.36Å; V813-Q816 PolarHBondContact O-N 2.85Å; Q816-G819 PolarHBondContact O-N 2.91Å; Q816-A820 PolarHBondContact O-N 3.15Å; Q816-A820 VanDerWaalsContact O-N 3.15Å
817	I	64.6	Low	64.5	Low	96 Å²	96	72.9 Å²	72.9	49%	0.492	41%	0.41	S	S	.	.	H	α-helix	trans	-64.5	-47.1	172.7	-68.5	167.7	0	0	0	110	V813 L814 G819 A820 L821	V813-I817 HydrophobicContact CG1-CD1 3.82Å; V813-I817 HydrophobicContact CG1-CG1 4.42Å; V813-I817 VanDerWaalsContact O-CG1 3.32Å; V813-I817 WeakPolarHBondContact O-CG1 3.39Å; V813-I817 PolarHBondContact O-N 3.31Å; L814-I817 PolarHBondContact O-N 2.94Å; I817-G819 VanDerWaalsContact C-N 3.34Å; I817-G819 PolarHBondContact O-N 3.29Å; I817-A820 PolarHBondContact O-N 3.17Å; I817-A820 VanDerWaalsContact O-N 3.14Å; I817-L821 WeakPolarHBondContact O-CB 3.46Å; I817-L821 PolarHBondContact O-N 3.05Å
818	A	61.3	Low	65.4	Low	9 Å²	9	75.3 Å²	75.3	7%	0.074	42%	0.42	C	S	.	.	H	α-helix	trans	-58.6	-43.5	175	0	0	0	0	0	112.5	F614 L814 A820 L821 F822	F614-A818 HydrophobicContact CE1-CB 4.15Å; F614-A818 HydrophobicContact CE2-CB 3.6Å; F614-A818 HydrophobicContact CZ-CB 3.39Å; L814-A818 WeakPolarHBondContact O-CB 3.1Å; L814-A818 PolarHBondContact O-N 2.9Å; A818-A820 PolarHBondContact O-N 3.37Å; A818-L821 PolarHBondContact O-N 3.07Å; A818-F822 HydrophobicContact CB-CD2 3.74Å; A818-F822 HydrophobicContact CB-CE2 3.56Å; A818-F822 HydrophobicContact CB-CZ 4.35Å; A818-F822 WeakPolarHBondContact O-CB 3.44Å; A818-F822 WeakPolarHBondContact O-CD2 3.49Å; A818-F822 PolarHBondContact O-N 3.21Å
819	G	66.4	Low	66.1	Low	54 Å²	54	75.1 Å²	75.1	56%	0.557	42%	0.415	S	S	*	.	H	α-helix	trans	-65.1	-20.8	176.6	0	0	0	0	0	114.4	N815 Q816 I817 P823	N815-G819 PolarHBondContact O-N 3.41Å; Q816-G819 PolarHBondContact O-N 2.91Å; I817-G819 VanDerWaalsContact C-N 3.34Å; I817-G819 PolarHBondContact O-N 3.29Å; G819-P823 WeakPolarHBondContact O-CD 3.35Å; G819-P823 VanDerWaalsContact O-CG 3.31Å; G819-P823 WeakPolarHBondContact O-CG 3.45Å
820	A	69.5	Low	66.7	Low	54 Å²	54	72.7 Å²	72.7	45%	0.446	41%	0.405	S	S	.	.	H	α-helix	trans	-91.8	-39.9	170.5	0	0	0	0	0	112.6	Q816 I817 A818 Q824	Q816-A820 PolarHBondContact O-N 3.15Å; Q816-A820 VanDerWaalsContact O-N 3.15Å; I817-A820 PolarHBondContact O-N 3.17Å; I817-A820 VanDerWaalsContact O-N 3.14Å; A818-A820 PolarHBondContact O-N 3.37Å; A820-Q824 WeakPolarHBondContact O-CG 3.46Å
821	L	65.2	Low	67.6	Low	68 Å²	68	71.7 Å²	71.7	36%	0.356	40%	0.397	S	S	.	.	H	α-helix	trans	-80	-46.9	-171.4	-171	73.5	0	0	0	112.8	I817 A818 Q824 I825	I817-L821 WeakPolarHBondContact O-CB 3.46Å; I817-L821 PolarHBondContact O-N 3.05Å; A818-L821 PolarHBondContact O-N 3.07Å; L821-Q824 PolarHBondContact O-N 3.12Å; L821-I825 HydrophobicContact CD1-CD1 4.01Å; L821-I825 HydrophobicContact CD1-CG1 4.49Å; L821-I825 HydrophobicContact CD2-CD1 4.27Å; L821-I825 HydrophobicContact CG-CD1 3.79Å; L821-I825 HydrophobicContact CG-CG1 4.43Å; L821-I825 WeakPolarHBondContact O-CG1 3.3Å; L821-I825 PolarHBondContact O-N 3.48Å
822	F	73.7	Confident	68.2	Low	37 Å²	37	74.7 Å²	74.7	16%	0.162	41%	0.414	C	S	.	.	H	α-helix	trans	-62.8	-41.4	-177.6	-65.6	-38.6	0	0	0	112.7	F607 F610 F614 A818 Q824 I825 Q826	F607-F822 HydrophobicContact CE1-CD1 4.29Å; F607-F822 HydrophobicContact CE1-CE1 4.43Å; F607-F822 AromaticContact CZ-CD1 3.91Å; F607-F822 HydrophobicContact CZ-CD1 3.91Å; F607-F822 HydrophobicContact CZ-CE1 4.09Å; F610-F822 HydrophobicContact CD1-CE1 4.03Å; F610-F822 HydrophobicContact CD1-CZ 4.33Å; F610-F822 AromaticContact CE1-CE1 3.89Å; F610-F822 HydrophobicContact CE1-CE1 3.89Å; F610-F822 HydrophobicContact CE1-CZ 4.05Å; F614-F822 HydrophobicContact CB-CZ 4.33Å; F614-F822 AromaticContact CD1-CE2 3.87Å; F614-F822 HydrophobicContact CD1-CE2 3.87Å; F614-F822 HydrophobicContact CD1-CZ 4.19Å; F614-F822 HydrophobicContact CD2-CE2 4.46Å; F614-F822 HydrophobicContact CD2-CZ 4.34Å; F614-F822 AromaticContact CE1-CE2 4Å; F614-F822 HydrophobicContact CE1-CE2 4Å; F614-F822 HydrophobicContact CG-CE2 4.13Å; F614-F822 HydrophobicContact CG-CZ 4.02Å; F614-F822 HydrophobicContact CZ-CE2 4.34Å; A818-F822 HydrophobicContact CB-CD2 3.74Å; A818-F822 HydrophobicContact CB-CE2 3.56Å; A818-F822 HydrophobicContact CB-CZ 4.35Å; A818-F822 WeakPolarHBondContact O-CB 3.44Å; A818-F822 WeakPolarHBondContact O-CD2 3.49Å; A818-F822 PolarHBondContact O-N 3.21Å; F822-Q824 PolarHBondContact O-N 2.8Å; F822-I825 PolarHBondContact O-N 2.94Å; F822-Q826 VanDerWaalsContact O-CB 3.25Å; F822-Q826 WeakPolarHBondContact O-CB 3.32Å; F822-Q826 PolarHBondContact O-N 3.44Å
823	P	72.5	Confident	68.8	Low	77 Å²	77	77.4 Å²	77.4	50%	0.5	42%	0.422	S	S	.	.	H	α-helix	trans	-64.4	-35.9	173.7	-25.4	37.6	0	0	0	113.7	G819 Q826 L827	G819-P823 WeakPolarHBondContact O-CD 3.35Å; G819-P823 VanDerWaalsContact O-CG 3.31Å; G819-P823 WeakPolarHBondContact O-CG 3.45Å; P823-Q826 PolarHBondContact O-N 3.5Å; P823-L827 WeakPolarHBondContact O-CB 3.5Å; P823-L827 PolarHBondContact O-N 2.58Å
824	Q	69.8	Low	69.3	Low	121 Å²	121	80.8 Å²	80.8	57%	0.565	43%	0.434	S	S	*	.	H	α-helix	trans	-68.1	-42.6	176.2	-71.9	179.1	22.8	0	0	111.9	A820 L821 F822 Q826 L827 L828	A820-Q824 WeakPolarHBondContact O-CG 3.46Å; L821-Q824 PolarHBondContact O-N 3.12Å; F822-Q824 PolarHBondContact O-N 2.8Å; Q824-Q826 VanDerWaalsContact C-N 3.35Å; Q824-L827 WeakPolarHBondContact O-CB 3.26Å; Q824-L827 PolarHBondContact O-N 2.99Å; Q824-L828 WeakPolarHBondContact O-CG 3.47Å; Q824-L828 PolarHBondContact O-N 3.35Å
825	I	67.1	Low	70.1	Confident	45 Å²	45	81.6 Å²	81.6	23%	0.231	44%	0.438	C	S	.	.	H	α-helix	trans	-71.7	-32.2	177.5	-62.5	178.3	0	0	0	111	F607 L821 F822 L828 R829	F607-I825 HydrophobicContact CD2-CG2 4.46Å; F607-I825 HydrophobicContact CE1-CG2 4.17Å; F607-I825 HydrophobicContact CE2-CB 4.42Å; F607-I825 HydrophobicContact CE2-CD1 3.55Å; F607-I825 HydrophobicContact CE2-CG2 3.77Å; F607-I825 HydrophobicContact CZ-CB 4.03Å; F607-I825 HydrophobicContact CZ-CD1 3.81Å; F607-I825 HydrophobicContact CZ-CG2 3.59Å; L821-I825 HydrophobicContact CD1-CD1 4.01Å; L821-I825 HydrophobicContact CD1-CG1 4.49Å; L821-I825 HydrophobicContact CD2-CD1 4.27Å; L821-I825 HydrophobicContact CG-CD1 3.79Å; L821-I825 HydrophobicContact CG-CG1 4.43Å; L821-I825 WeakPolarHBondContact O-CG1 3.3Å; L821-I825 PolarHBondContact O-N 3.48Å; F822-I825 PolarHBondContact O-N 2.94Å; I825-L828 PolarHBondContact O-N 3.05Å; I825-R829 WeakPolarHBondContact O-CB 3.31Å; I825-R829 WeakPolarHBondContact O-CG 3.29Å; I825-R829 PolarHBondContact O-N 3.17Å
826	Q	70.4	Confident	70.4	Confident	104 Å²	104	83.5 Å²	83.5	49%	0.486	44%	0.44	S	S	.	.	H	α-helix	trans	-69.3	-33.8	171.7	-168.3	65.5	3.1	0	0	112.3	F822 P823 Q824 T830	F822-Q826 VanDerWaalsContact O-CB 3.25Å; F822-Q826 WeakPolarHBondContact O-CB 3.32Å; F822-Q826 PolarHBondContact O-N 3.44Å; P823-Q826 PolarHBondContact O-N 3.5Å; Q824-Q826 VanDerWaalsContact C-N 3.35Å; Q826-T830 PolarHBondContact O-N 3.18Å; Q826-T830 PolarHBondContact O-OG1 3.03Å
827	L	73.5	Confident	70.9	Confident	114 Å²	114	79 Å²	79	60%	0.597	43%	0.425	S	S	*	.	H	α-helix	trans	-64.5	-47.9	170	-174.3	65.9	0	0	0	110.7	P823 Q824 R829 T830 E831	P823-L827 WeakPolarHBondContact O-CB 3.5Å; P823-L827 PolarHBondContact O-N 2.58Å; Q824-L827 WeakPolarHBondContact O-CB 3.26Å; Q824-L827 PolarHBondContact O-N 2.99Å; L827-R829 VanDerWaalsContact C-N 3.32Å; L827-R829 PolarHBondContact O-N 2.7Å; L827-T830 WeakPolarHBondContact CA-OG1 3.03Å; L827-T830 PolarHBondContact O-N 2.82Å; L827-T830 PolarHBondContact O-OG1 3.39Å; L827-E831 WeakPolarHBondContact O-CB 3.32Å; L827-E831 PolarHBondContact O-N 3.26Å
828	L	70.3	Confident	71.6	Confident	93 Å²	93	77.4 Å²	77.4	49%	0.487	42%	0.42	S	S	.	.	H	α-helix	trans	-65.6	-31.8	176.6	-69.7	168	0	0	0	113.1	Q824 I825 N832	Q824-L828 WeakPolarHBondContact O-CG 3.47Å; Q824-L828 PolarHBondContact O-N 3.35Å; I825-L828 PolarHBondContact O-N 3.05Å; L828-N832 VanDerWaalsContact O-CB 3.29Å; L828-N832 WeakPolarHBondContact O-CB 3.24Å; L828-N832 PolarHBondContact O-N 3.14Å; L828-N832 PolarHBondContact O-ND2 2.91Å
829	R	71	Confident	72.3	Confident	69 Å²	69	81.1 Å²	81.1	26%	0.26	44%	0.437	S	S	.	.	H	α-helix	trans	-66.8	-46.1	170.6	-88	177.5	155.4	179.1	-6.6	111	D604 D608 I825 L827 N832 V833	D604-R829 IonicContact OD1-CZ 3.41Å; D604-R829 IonicContact OD1-NE 3.3Å; D604-R829 PolarHBondContact OD1-NE 3.2Å; D604-R829 IonicContact OD1-NH2 2.71Å; D604-R829 PolarHBondContact OD1-NH2 2.89Å; D608-R829 IonicContact OD1-NH1 3.95Å; D608-R829 IonicContact OD1-NH2 3.27Å; D608-R829 PolarHBondContact OD1-NH2 3.17Å; I825-R829 WeakPolarHBondContact O-CB 3.31Å; I825-R829 WeakPolarHBondContact O-CG 3.29Å; I825-R829 PolarHBondContact O-N 3.17Å; L827-R829 VanDerWaalsContact C-N 3.32Å; L827-R829 PolarHBondContact O-N 2.7Å; R829-N832 PolarHBondContact O-N 3.26Å; R829-V833 WeakPolarHBondContact O-CG2 3.4Å; R829-V833 PolarHBondContact O-N 3.34Å
830	T	74.7	Confident	72.9	Confident	64 Å²	64	83 Å²	83	39%	0.393	44%	0.435	S	S	.	.	H	α-helix	trans	-67.1	-42.3	177.5	43.7	0	0	0	0	112	Q826 L827 N832 V833 E834	Q826-T830 PolarHBondContact O-N 3.18Å; Q826-T830 PolarHBondContact O-OG1 3.03Å; L827-T830 WeakPolarHBondContact CA-OG1 3.03Å; L827-T830 PolarHBondContact O-N 2.82Å; L827-T830 PolarHBondContact O-OG1 3.39Å; T830-N832 VanDerWaalsContact C-N 3.35Å; T830-N832 PolarHBondContact O-N 2.87Å; T830-V833 CarbonylContact O-C 3.51Å; T830-V833 PolarHBondContact O-N 3.04Å; T830-V833 VanDerWaalsContact O-N 3.11Å; T830-E834 PolarHBondContact O-N 3.43Å
831	E	73.4	Confident	73.5	Confident	98 Å²	98	86.4 Å²	86.4	46%	0.458	44%	0.439	S	S	.	.	H	α-helix	trans	-59.7	-41.5	171	-173.4	178	-165.4	0	0	111.7	L827 V833 E834 L835	L827-E831 WeakPolarHBondContact O-CB 3.32Å; L827-E831 PolarHBondContact O-N 3.26Å; E831-V833 VanDerWaalsContact C-N 3.35Å; E831-V833 PolarHBondContact O-N 3.2Å; E831-E834 PolarHBondContact O-N 3.35Å; E831-L835 HydrophobicContact CG-CD1 4.06Å; E831-L835 HydrophobicContact CG-CG 4.45Å; E831-L835 VanDerWaalsContact O-CB 3.3Å; E831-L835 WeakPolarHBondContact O-CB 3.4Å; E831-L835 VanDerWaalsContact O-CG 3.25Å; E831-L835 WeakPolarHBondContact O-CG 3.39Å; E831-L835 PolarHBondContact O-N 3.4Å
832	N	70	Confident	74.1	Confident	72 Å²	72	88.2 Å²	88.2	39%	0.385	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-35.4	173.2	-94.9	-94.7	0	0	0	113	L828 R829 T830 R836	L828-N832 VanDerWaalsContact O-CB 3.29Å; L828-N832 WeakPolarHBondContact O-CB 3.24Å; L828-N832 PolarHBondContact O-N 3.14Å; L828-N832 PolarHBondContact O-ND2 2.91Å; R829-N832 PolarHBondContact O-N 3.26Å; T830-N832 VanDerWaalsContact C-N 3.35Å; T830-N832 PolarHBondContact O-N 2.87Å; N832-R836 VanDerWaalsContact O-CB 3.22Å; N832-R836 WeakPolarHBondContact O-CB 3.31Å; N832-R836 WeakPolarHBondContact O-CD 3.43Å; N832-R836 WeakPolarHBondContact O-CG 3.47Å; N832-R836 PolarHBondContact O-N 2.64Å
833	V	74.2	Confident	74.2	Confident	94 Å²	94	91.4 Å²	91.4	57%	0.57	46%	0.464	S	S	*	.	H	α-helix	trans	-70.6	-38.3	175.2	168.8	0	0	0	0	111	R829 T830 E831 R836 S837	R829-V833 WeakPolarHBondContact O-CG2 3.4Å; R829-V833 PolarHBondContact O-N 3.34Å; T830-V833 CarbonylContact O-C 3.51Å; T830-V833 PolarHBondContact O-N 3.04Å; T830-V833 VanDerWaalsContact O-N 3.11Å; E831-V833 VanDerWaalsContact C-N 3.35Å; E831-V833 PolarHBondContact O-N 3.2Å; V833-R836 PolarHBondContact O-N 2.86Å; V833-S837 VanDerWaalsContact O-CB 3.24Å; V833-S837 WeakPolarHBondContact O-CB 3.25Å; V833-S837 PolarHBondContact O-N 3.25Å
834	E	75.7	Confident	74.5	Confident	139 Å²	139	91.4 Å²	91.4	65%	0.65	46%	0.463	S	S	*	.	H	α-helix	trans	-68.1	-43.3	173.1	-72.7	-171.1	176.8	0	0	112	T830 E831 R836 S837 T838	T830-E834 PolarHBondContact O-N 3.43Å; E831-E834 PolarHBondContact O-N 3.35Å; E834-R836 VanDerWaalsContact C-N 3.34Å; E834-R836 PolarHBondContact O-N 3.07Å; E834-S837 CarbonylContact O-C 3.56Å; E834-S837 WeakPolarHBondContact O-CB 3.49Å; E834-S837 PolarHBondContact O-N 3Å; E834-S837 VanDerWaalsContact O-N 3.13Å; E834-T838 WeakPolarHBondContact O-CG2 3.43Å; E834-T838 PolarHBondContact O-N 3.48Å; E834-T838 PolarHBondContact O-OG1 3.25Å
835	L	75	Confident	74.8	Confident	85 Å²	85	90.3 Å²	90.3	45%	0.445	46%	0.458	S	S	.	.	H	α-helix	trans	-61.6	-41.1	172.2	-73.1	170.6	0	0	0	111.1	E831 S837 T838 I839	E831-L835 HydrophobicContact CG-CD1 4.06Å; E831-L835 HydrophobicContact CG-CG 4.45Å; E831-L835 VanDerWaalsContact O-CB 3.3Å; E831-L835 WeakPolarHBondContact O-CB 3.4Å; E831-L835 VanDerWaalsContact O-CG 3.25Å; E831-L835 WeakPolarHBondContact O-CG 3.39Å; E831-L835 PolarHBondContact O-N 3.4Å; L835-S837 VanDerWaalsContact C-N 3.33Å; L835-S837 PolarHBondContact O-N 2.93Å; L835-T838 WeakPolarHBondContact CA-OG1 3.5Å; L835-T838 PolarHBondContact O-N 3.35Å; L835-T838 PolarHBondContact O-OG1 3.13Å; L835-I839 WeakPolarHBondContact O-CB 3.3Å; L835-I839 WeakPolarHBondContact O-CG1 3.43Å; L835-I839 PolarHBondContact O-N 2.73Å
836	R	72.2	Confident	75.2	Confident	111 Å²	111	93 Å²	93	42%	0.419	47%	0.469	S	S	.	.	H	α-helix	trans	-69.7	-28.2	173.4	-75.5	168.4	173.8	-97	-7.2	113.1	Y600 N832 V833 E834 N840	Y600-R836 VanDerWaalsContact CZ-CZ 3.41Å; Y600-R836 PolarHBondContact OH-NE 3.08Å; N832-R836 VanDerWaalsContact O-CB 3.22Å; N832-R836 WeakPolarHBondContact O-CB 3.31Å; N832-R836 WeakPolarHBondContact O-CD 3.43Å; N832-R836 WeakPolarHBondContact O-CG 3.47Å; N832-R836 PolarHBondContact O-N 2.64Å; V833-R836 PolarHBondContact O-N 2.86Å; E834-R836 VanDerWaalsContact C-N 3.34Å; E834-R836 PolarHBondContact O-N 3.07Å; R836-N840 WeakPolarHBondContact O-CB 3.26Å; R836-N840 PolarHBondContact O-N 3.32Å; R836-N840 PolarHBondContact O-ND2 2.92Å
837	S	78.5	Confident	75.4	Confident	55 Å²	55	90.7 Å²	90.7	39%	0.385	47%	0.465	S	S	.	.	H	α-helix	trans	-72.1	-41.5	172.2	-175.3	0	0	0	0	111.3	V833 E834 L835 N840 K841	V833-S837 VanDerWaalsContact O-CB 3.24Å; V833-S837 WeakPolarHBondContact O-CB 3.25Å; V833-S837 PolarHBondContact O-N 3.25Å; E834-S837 CarbonylContact O-C 3.56Å; E834-S837 WeakPolarHBondContact O-CB 3.49Å; E834-S837 PolarHBondContact O-N 3Å; E834-S837 VanDerWaalsContact O-N 3.13Å; L835-S837 VanDerWaalsContact C-N 3.33Å; L835-S837 PolarHBondContact O-N 2.93Å; S837-N840 PolarHBondContact O-N 2.95Å; S837-K841 WeakPolarHBondContact O-CB 3.43Å; S837-K841 WeakPolarHBondContact O-CG 3.44Å; S837-K841 PolarHBondContact O-N 3.35Å
838	T	79.1	Confident	75.4	Confident	63 Å²	63	90.2 Å²	90.2	39%	0.387	46%	0.463	S	S	.	.	H	α-helix	trans	-70	-37.1	173.4	57.5	0	0	0	0	112	E834 L835 K841 L842	E834-T838 WeakPolarHBondContact O-CG2 3.43Å; E834-T838 PolarHBondContact O-N 3.48Å; E834-T838 PolarHBondContact O-OG1 3.25Å; L835-T838 WeakPolarHBondContact CA-OG1 3.5Å; L835-T838 PolarHBondContact O-N 3.35Å; L835-T838 PolarHBondContact O-OG1 3.13Å; T838-K841 CarbonylContact O-C 3.56Å; T838-K841 PolarHBondContact O-N 3.38Å; T838-L842 WeakPolarHBondContact O-CB 3.49Å; T838-L842 VanDerWaalsContact O-CG 3.23Å; T838-L842 WeakPolarHBondContact O-CG 3.5Å; T838-L842 PolarHBondContact O-N 3.45Å
839	I	75.7	Confident	75.3	Confident	86 Å²	86	94 Å²	94	44%	0.441	47%	0.47	S	S	.	.	H	α-helix	trans	-64.3	-46.9	171.1	-69.6	164.2	0	0	0	110.2	L835 K841 L842 E843	L835-I839 WeakPolarHBondContact O-CB 3.3Å; L835-I839 WeakPolarHBondContact O-CG1 3.43Å; L835-I839 PolarHBondContact O-N 2.73Å; I839-K841 VanDerWaalsContact C-N 3.3Å; I839-K841 PolarHBondContact O-N 3.19Å; I839-L842 CarbonylContact O-C 3.59Å; I839-L842 PolarHBondContact O-N 3.43Å; I839-L842 VanDerWaalsContact O-N 3.14Å; I839-E843 HydrophobicContact CG2-CG 4.15Å; I839-E843 WeakPolarHBondContact O-CB 3.49Å; I839-E843 WeakPolarHBondContact O-CG 3.16Å; I839-E843 PolarHBondContact O-N 2.91Å
840	N	78.8	Confident	75.2	Confident	95 Å²	95	96 Å²	96	51%	0.508	48%	0.481	S	S	.	.	H	α-helix	trans	-62	-35.9	173.9	-87.9	-81.1	0	0	0	112.4	R836 S837 T844	R836-N840 WeakPolarHBondContact O-CB 3.26Å; R836-N840 PolarHBondContact O-N 3.32Å; R836-N840 PolarHBondContact O-ND2 2.92Å; S837-N840 PolarHBondContact O-N 2.95Å; N840-T844 VanDerWaalsContact O-CB 3.31Å; N840-T844 WeakPolarHBondContact O-CB 3.42Å; N840-T844 VanDerWaalsContact O-CG2 3.32Å; N840-T844 WeakPolarHBondContact O-CG2 3.47Å; N840-T844 PolarHBondContact O-N 3.47Å; N840-T844 PolarHBondContact O-OG1 2.9Å
841	K	82.7	Confident	74.8	Confident	125 Å²	125	99 Å²	99	54%	0.543	49%	0.49	S	S	.	.	H	α-helix	trans	-64.4	-45.3	171.2	-78.8	175.7	178.2	178.3	0	111.4	S837 T838 I839 E843 T844 E845	S837-K841 WeakPolarHBondContact O-CB 3.43Å; S837-K841 WeakPolarHBondContact O-CG 3.44Å; S837-K841 PolarHBondContact O-N 3.35Å; T838-K841 CarbonylContact O-C 3.56Å; T838-K841 PolarHBondContact O-N 3.38Å; I839-K841 VanDerWaalsContact C-N 3.3Å; I839-K841 PolarHBondContact O-N 3.19Å; K841-E843 VanDerWaalsContact C-N 3.34Å; K841-E843 PolarHBondContact O-N 2.85Å; K841-T844 WeakPolarHBondContact CA-OG1 3.21Å; K841-T844 PolarHBondContact O-N 3.02Å; K841-T844 PolarHBondContact O-OG1 3.14Å; K841-E845 WeakPolarHBondContact O-CA 3.44Å; K841-E845 WeakPolarHBondContact O-CB 3.24Å; K841-E845 VanDerWaalsContact O-CG 3.26Å; K841-E845 WeakPolarHBondContact O-CG 3.18Å; K841-E845 PolarHBondContact O-N 3.38Å
842	L	77.3	Confident	74.2	Confident	105 Å²	105	99.4 Å²	99.4	55%	0.55	49%	0.491	S	S	.	.	H	α-helix	trans	-70.7	-27.6	178.2	-71.2	168.7	0	0	0	112.7	T838 I839 Q846	T838-L842 WeakPolarHBondContact O-CB 3.49Å; T838-L842 VanDerWaalsContact O-CG 3.23Å; T838-L842 WeakPolarHBondContact O-CG 3.5Å; T838-L842 PolarHBondContact O-N 3.45Å; I839-L842 CarbonylContact O-C 3.59Å; I839-L842 PolarHBondContact O-N 3.43Å; I839-L842 VanDerWaalsContact O-N 3.14Å; L842-Q846 WeakPolarHBondContact O-CA 3.38Å; L842-Q846 WeakPolarHBondContact O-CB 3.47Å; L842-Q846 PolarHBondContact O-N 3.07Å
843	E	76.9	Confident	73.6	Confident	105 Å²	105	104.6 Å²	104.6	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-82.3	-34.4	174.4	-74.8	-172.2	150.2	0	0	112	I839 K841 S847	I839-E843 HydrophobicContact CG2-CG 4.15Å; I839-E843 WeakPolarHBondContact O-CB 3.49Å; I839-E843 WeakPolarHBondContact O-CG 3.16Å; I839-E843 PolarHBondContact O-N 2.91Å; K841-E843 VanDerWaalsContact C-N 3.34Å; K841-E843 PolarHBondContact O-N 2.85Å; E843-S847 WeakPolarHBondContact O-CA 3.23Å; E843-S847 WeakPolarHBondContact O-CB 3.36Å; E843-S847 PolarHBondContact O-N 3.12Å; E843-S847 PolarHBondContact O-OG 3.35Å
844	T	79.1	Confident	72.7	Confident	76 Å²	76	104.3 Å²	104.3	47%	0.466	50%	0.5	S	S	.	.	H	α-helix	trans	-74.6	-32.2	169.3	52.7	0	0	0	0	111.6	N840 K841 N848	N840-T844 VanDerWaalsContact O-CB 3.31Å; N840-T844 WeakPolarHBondContact O-CB 3.42Å; N840-T844 VanDerWaalsContact O-CG2 3.32Å; N840-T844 WeakPolarHBondContact O-CG2 3.47Å; N840-T844 PolarHBondContact O-N 3.47Å; N840-T844 PolarHBondContact O-OG1 2.9Å; K841-T844 WeakPolarHBondContact CA-OG1 3.21Å; K841-T844 PolarHBondContact O-N 3.02Å; K841-T844 PolarHBondContact O-OG1 3.14Å; T844-N848 WeakPolarHBondContact O-CA 3.39Å; T844-N848 WeakPolarHBondContact O-CB 3.08Å; T844-N848 PolarHBondContact O-N 2.87Å; T844-N848 PolarHBondContact O-ND2 2.69Å; T844-N848 VanDerWaalsContact O-ND2 3.16Å
845	E	75.4	Confident	71.7	Confident	98 Å²	98	105 Å²	105	46%	0.458	50%	0.497	S	S	.	.	H	α-helix	trans	-68.4	-46.1	167	-79.5	178.1	-161.2	0	0	110.9	K841 S847 N848 W849	K841-E845 WeakPolarHBondContact O-CA 3.44Å; K841-E845 WeakPolarHBondContact O-CB 3.24Å; K841-E845 VanDerWaalsContact O-CG 3.26Å; K841-E845 WeakPolarHBondContact O-CG 3.18Å; K841-E845 PolarHBondContact O-N 3.38Å; E845-S847 VanDerWaalsContact C-N 3.28Å; E845-S847 PolarHBondContact O-N 2.96Å; E845-N848 CarbonylContact O-C 3.57Å; E845-N848 WeakPolarHBondContact O-CA 3.46Å; E845-N848 WeakPolarHBondContact O-CB 3.38Å; E845-N848 PolarHBondContact O-N 3.43Å; E845-N848 VanDerWaalsContact O-N 3.14Å; E845-W849 WeakPolarHBondContact O-CB 3.42Å; E845-W849 PolarHBondContact O-N 3Å
846	Q	75	Confident	70.4	Confident	102 Å²	102	104.7 Å²	104.7	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-64.3	-35.6	175.2	-169.5	-160.7	106	0	0	111.1	L842 W849 K850	L842-Q846 WeakPolarHBondContact O-CA 3.38Å; L842-Q846 WeakPolarHBondContact O-CB 3.47Å; L842-Q846 PolarHBondContact O-N 3.07Å; Q846-W849 PolarHBondContact O-N 2.85Å; Q846-K850 HydrophobicContact CG-CD 4.41Å; Q846-K850 VanDerWaalsContact O-CB 3.28Å; Q846-K850 WeakPolarHBondContact O-CB 3.43Å; Q846-K850 VanDerWaalsContact O-CG 3.23Å; Q846-K850 WeakPolarHBondContact O-CG 3.42Å; Q846-K850 PolarHBondContact O-N 3.47Å; Q846-K850 VanDerWaalsContact OE1-CE 3.23Å
847	S	74	Confident	69	Low	56 Å²	56	105.1 Å²	105.1	39%	0.392	51%	0.507	S	S	.	.	H	α-helix	trans	-71.3	-35.5	172.7	-62.5	0	0	0	0	111.5	E843 E845 H851	E843-S847 WeakPolarHBondContact O-CA 3.23Å; E843-S847 WeakPolarHBondContact O-CB 3.36Å; E843-S847 PolarHBondContact O-N 3.12Å; E843-S847 PolarHBondContact O-OG 3.35Å; E845-S847 VanDerWaalsContact C-N 3.28Å; E845-S847 PolarHBondContact O-N 2.96Å; S847-H851 VanDerWaalsContact O-CB 3.25Å; S847-H851 WeakPolarHBondContact O-CB 2.87Å; S847-H851 PolarHBondContact O-CD2 3.32Å; S847-H851 PolarHBondContact O-N 2.82Å
848	N	74.4	Confident	67.3	Low	103 Å²	103	108.8 Å²	108.8	55%	0.551	52%	0.517	S	S	*	.	H	α-helix	trans	-68.3	-35.2	171.2	-79.9	-27.9	0	0	0	111.5	T844 E845 H851 F852	T844-N848 WeakPolarHBondContact O-CA 3.39Å; T844-N848 WeakPolarHBondContact O-CB 3.08Å; T844-N848 PolarHBondContact O-N 2.87Å; T844-N848 PolarHBondContact O-ND2 2.69Å; T844-N848 VanDerWaalsContact O-ND2 3.16Å; E845-N848 CarbonylContact O-C 3.57Å; E845-N848 WeakPolarHBondContact O-CA 3.46Å; E845-N848 WeakPolarHBondContact O-CB 3.38Å; E845-N848 PolarHBondContact O-N 3.43Å; E845-N848 VanDerWaalsContact O-N 3.14Å; N848-H851 CarbonylContact O-C 3.55Å; N848-H851 PolarHBondContact O-N 2.81Å; N848-F852 WeakPolarHBondContact O-CA 3.41Å; N848-F852 VanDerWaalsContact O-CB 3.26Å; N848-F852 WeakPolarHBondContact O-CB 3.22Å; N848-F852 PolarHBondContact O-N 3.49Å
849	W	67.4	Low	65.4	Low	172 Å²	172	108.8 Å²	108.8	65%	0.652	52%	0.515	S	S	*	.	H	α-helix	trans	-76.4	-34.1	174.8	-82.9	114.2	0	0	0	112.2	E845 Q846 F852 R853	E845-W849 WeakPolarHBondContact O-CB 3.42Å; E845-W849 PolarHBondContact O-N 3Å; Q846-W849 PolarHBondContact O-N 2.85Å; W849-F852 HydrophobicContact CE3-CB 4.37Å; W849-F852 PolarHBondContact O-N 2.54Å; W849-R853 VanDerWaalsContact O-CB 3.23Å; W849-R853 WeakPolarHBondContact O-CB 3.49Å; W849-R853 PolarHBondContact O-N 3.29Å
850	K	69.6	Low	63.7	Low	111 Å²	111	111.6 Å²	111.6	48%	0.483	53%	0.53	S	S	.	.	H	α-helix	trans	-65.1	-44.1	166.3	-78.8	164.9	169	170.9	0	109.8	Q846 F852 N854	Q846-K850 HydrophobicContact CG-CD 4.41Å; Q846-K850 VanDerWaalsContact O-CB 3.28Å; Q846-K850 WeakPolarHBondContact O-CB 3.43Å; Q846-K850 VanDerWaalsContact O-CG 3.23Å; Q846-K850 WeakPolarHBondContact O-CG 3.42Å; Q846-K850 PolarHBondContact O-N 3.47Å; Q846-K850 VanDerWaalsContact OE1-CE 3.23Å; K850-F852 VanDerWaalsContact C-N 3.34Å; K850-N854 WeakPolarHBondContact O-CB 3.4Å; K850-N854 PolarHBondContact O-N 2.9Å; K850-N854 PolarHBondContact O-ND2 3.49Å
851	H	66.7	Low	61.8	Low	128 Å²	128	114.3 Å²	114.3	59%	0.593	54%	0.542	S	S	*	.	H	α-helix	trans	-64	-36.4	170.1	-94	-75.5	0	0	0	111.8	S847 N848 N854 R855	S847-H851 VanDerWaalsContact O-CB 3.25Å; S847-H851 WeakPolarHBondContact O-CB 2.87Å; S847-H851 PolarHBondContact O-CD2 3.32Å; S847-H851 PolarHBondContact O-N 2.82Å; N848-H851 CarbonylContact O-C 3.55Å; N848-H851 PolarHBondContact O-N 2.81Å; H851-N854 CarbonylContact O-C 3.59Å; H851-N854 PolarHBondContact O-N 3.36Å; H851-R855 WeakPolarHBondContact O-CA 3.41Å; H851-R855 WeakPolarHBondContact O-CB 3.28Å; H851-R855 PolarHBondContact O-N 3.25Å
852	F	60.2	Low	59.6	Low	107 Å²	107	118.4 Å²	118.4	47%	0.469	55%	0.554	S	S	.	*	H	α-helix	trans	-70.5	-45.9	179.7	-138.2	-78.7	0	0	0	109.7	N848 W849 K850 N854 R855 D856	N848-F852 WeakPolarHBondContact O-CA 3.41Å; N848-F852 VanDerWaalsContact O-CB 3.26Å; N848-F852 WeakPolarHBondContact O-CB 3.22Å; N848-F852 PolarHBondContact O-N 3.49Å; W849-F852 HydrophobicContact CE3-CB 4.37Å; W849-F852 PolarHBondContact O-N 2.54Å; K850-F852 VanDerWaalsContact C-N 3.34Å; F852-N854 PolarHBondContact O-N 2.86Å; F852-R855 CarbonylContact O-C 3.58Å; F852-R855 WeakPolarHBondContact O-CA 3.49Å; F852-R855 PolarHBondContact O-N 3.11Å; F852-D856 WeakPolarHBondContact CD1-OD2 3.4Å; F852-D856 WeakPolarHBondContact O-CB 3.34Å; F852-D856 PolarHBondContact O-N 3.41Å
853	R	57.5	Low	57.4	Low	181 Å²	181	119 Å²	119	68%	0.683	56%	0.562	S	S	*	*	H	α-helix	trans	-60.2	-43.5	172.3	-168.3	-178.9	-62.2	-179.1	-0.1	111.9	W849 R855 N857	W849-R853 VanDerWaalsContact O-CB 3.23Å; W849-R853 WeakPolarHBondContact O-CB 3.49Å; W849-R853 PolarHBondContact O-N 3.29Å; R853-R855 VanDerWaalsContact C-N 3.29Å; R853-R855 PolarHBondContact O-N 2.96Å; R853-N857 WeakPolarHBondContact O-CB 3.37Å; R853-N857 PolarHBondContact O-N 3.31Å; R853-N857 VanDerWaalsContact O-N 3.08Å; R853-N857 PolarHBondContact O-ND2 2.8Å
854	N	56.6	Low	55.2	Low	88 Å²	88	119.1 Å²	119.1	47%	0.471	57%	0.574	S	S	.	*	H	α-helix	trans	-70.6	-23.9	173.7	-71.1	-13.7	0	0	0	113	K850 H851 F852 Q858	K850-N854 WeakPolarHBondContact O-CB 3.4Å; K850-N854 PolarHBondContact O-N 2.9Å; K850-N854 PolarHBondContact O-ND2 3.49Å; H851-N854 CarbonylContact O-C 3.59Å; H851-N854 PolarHBondContact O-N 3.36Å; F852-N854 PolarHBondContact O-N 2.86Å; N854-Q858 VanDerWaalsContact O-CG 3.31Å; N854-Q858 WeakPolarHBondContact O-CG 3Å; N854-Q858 PolarHBondContact O-N 3.02Å; N854-Q858 PolarHBondContact O-NE2 3.39Å
855	R	53.8	Low	53.1	Low	154 Å²	154	124.1 Å²	124.1	58%	0.581	60%	0.597	S	S	*	*	H	α-helix	trans	-89.5	-26.9	-179.9	176.5	173.6	173	163.2	-2.4	111.9	H851 F852 R853 Q858 L859	H851-R855 WeakPolarHBondContact O-CA 3.41Å; H851-R855 WeakPolarHBondContact O-CB 3.28Å; H851-R855 PolarHBondContact O-N 3.25Å; F852-R855 CarbonylContact O-C 3.58Å; F852-R855 WeakPolarHBondContact O-CA 3.49Å; F852-R855 PolarHBondContact O-N 3.11Å; R853-R855 VanDerWaalsContact C-N 3.29Å; R853-R855 PolarHBondContact O-N 2.96Å; R855-Q858 CarbonylContact O-C 3.47Å; R855-Q858 VanDerWaalsContact O-CA 3.25Å; R855-Q858 WeakPolarHBondContact O-CA 3.09Å; R855-Q858 WeakPolarHBondContact O-CB 3.38Å; R855-Q858 PolarHBondContact O-N 2.84Å; R855-L859 HydrophobicContact CG-CD1 3.65Å; R855-L859 WeakPolarHBondContact O-CA 3.4Å; R855-L859 VanDerWaalsContact O-CB 3.28Å; R855-L859 WeakPolarHBondContact O-CB 3.34Å; R855-L859 PolarHBondContact O-N 3.03Å
856	D	46.6	Very low	51	Low	77 Å²	77	126.8 Å²	126.8	41%	0.412	61%	0.614	S	S	.	*	H	α-helix	trans	-75	-39.8	168.9	-72.9	-24	0	0	0	110	F852 Q858 L859 L860	F852-D856 WeakPolarHBondContact CD1-OD2 3.4Å; F852-D856 WeakPolarHBondContact O-CB 3.34Å; F852-D856 PolarHBondContact O-N 3.41Å; D856-Q858 PolarHBondContact O-N 3.44Å; D856-L859 PolarHBondContact O-N 2.95Å; D856-L860 PolarHBondContact O-N 3.41Å
857	N	44.2	Very low	49	Very low	121 Å²	121	128.8 Å²	128.8	65%	0.647	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-7.3	159.6	-71.6	-23	0	0	0	113.2	R853	R853-N857 WeakPolarHBondContact O-CB 3.37Å; R853-N857 PolarHBondContact O-N 3.31Å; R853-N857 VanDerWaalsContact O-N 3.08Å; R853-N857 PolarHBondContact O-ND2 2.8Å
858	Q	41.6	Very low	47.1	Very low	131 Å²	131	129.7 Å²	129.7	61%	0.612	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123	-1.3	169.7	-66.5	173.9	42.1	0	0	114.1	N854 R855 D856 M861 R862	N854-Q858 VanDerWaalsContact O-CG 3.31Å; N854-Q858 WeakPolarHBondContact O-CG 3Å; N854-Q858 PolarHBondContact O-N 3.02Å; N854-Q858 PolarHBondContact O-NE2 3.39Å; R855-Q858 CarbonylContact O-C 3.47Å; R855-Q858 VanDerWaalsContact O-CA 3.25Å; R855-Q858 WeakPolarHBondContact O-CA 3.09Å; R855-Q858 WeakPolarHBondContact O-CB 3.38Å; R855-Q858 PolarHBondContact O-N 2.84Å; D856-Q858 PolarHBondContact O-N 3.44Å; Q858-M861 CarbonylContact O-C 3.55Å; Q858-M861 WeakPolarHBondContact O-CA 3.04Å; Q858-M861 VanDerWaalsContact O-CB 3.29Å; Q858-M861 WeakPolarHBondContact O-CB 3.27Å; Q858-M861 PolarHBondContact O-N 2.88Å; Q858-R862 PolarHBondContact O-N 2.74Å
859	L	40.4	Very low	45.1	Very low	63 Å²	63	133.2 Å²	133.2	33%	0.33	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.9	-23.5	-179.5	-124.8	100.6	0	0	0	110.9	R855 D856 M861 R862 T863	R855-L859 HydrophobicContact CG-CD1 3.65Å; R855-L859 WeakPolarHBondContact O-CA 3.4Å; R855-L859 VanDerWaalsContact O-CB 3.28Å; R855-L859 WeakPolarHBondContact O-CB 3.34Å; R855-L859 PolarHBondContact O-N 3.03Å; D856-L859 PolarHBondContact O-N 2.95Å; L859-M861 PolarHBondContact O-N 3.37Å; L859-M861 VanDerWaalsContact O-N 3.13Å; L859-R862 CarbonylContact O-C 3.4Å; L859-R862 PolarHBondContact O-N 2.65Å; L859-T863 PolarHBondContact O-N 2.92Å
860	L	39.3	Very low	43.3	Very low	145 Å²	145	128.2 Å²	128.2	76%	0.759	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-10	150.7	-150.3	73.8	0	0	0	112.1	D856	D856-L860 PolarHBondContact O-N 3.41Å
861	M	40	Very low	41.5	Very low	153 Å²	153	130.2 Å²	130.2	75%	0.754	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	1.8	168.6	-85.8	-76.7	-172.4	0	0	114.1	Q858 L859	Q858-M861 CarbonylContact O-C 3.55Å; Q858-M861 WeakPolarHBondContact O-CA 3.04Å; Q858-M861 VanDerWaalsContact O-CB 3.29Å; Q858-M861 WeakPolarHBondContact O-CB 3.27Å; Q858-M861 PolarHBondContact O-N 2.88Å; L859-M861 PolarHBondContact O-N 3.37Å; L859-M861 VanDerWaalsContact O-N 3.13Å
862	R	35.9	Very low	40	Very low	211 Å²	211	130.5 Å²	130.5	80%	0.796	70%	0.699	S	S	*	*			trans	-159.7	55.1	-178.8	-125.9	172.5	-165.3	-178.8	4.4	116.8	Q858 L859 S864	Q858-R862 PolarHBondContact O-N 2.74Å; L859-R862 CarbonylContact O-C 3.4Å; L859-R862 PolarHBondContact O-N 2.65Å; R862-S864 PolarHBondContact O-N 2.66Å; R862-S864 VanDerWaalsContact O-N 3.16Å
863	T	31.4	Very low	38.9	Very low	118 Å²	118	130.5 Å²	130.5	72%	0.724	71%	0.71	S	S	*	*			trans	-75.4	91.8	165.3	35.4	0	0	0	0	112.1	L859	L859-T863 PolarHBondContact O-N 2.92Å
864	S	31.2	Very low	37.6	Very low	107 Å²	107	130.7 Å²	130.7	75%	0.748	72%	0.718	S	S	*	*			trans	-158.1	115.5	159.1	-82.4	0	0	0	0	112.7	R862	R862-S864 PolarHBondContact O-N 2.66Å; R862-S864 VanDerWaalsContact O-N 3.16Å
865	L	34.3	Very low	36.4	Very low	180 Å²	180	130.6 Å²	130.6	94%	0.942	73%	0.725	S	S	*	*			trans	62.9	115.3	155.8	-57.5	172.3	0	0	0	119.3
866	N	30.9	Very low	35.4	Very low	154 Å²	154	129.6 Å²	129.6	82%	0.824	73%	0.731	S	S	*	*			trans	-159.9	116.2	158.1	-180	42.1	0	0	0	109.9
867	T	32.6	Very low	35	Very low	144 Å²	144	133.8 Å²	133.8	88%	0.883	75%	0.748	S	S	*	*			trans	172.4	151	157.5	34.2	0	0	0	0	111.9
868	G	34	Very low	34.6	Very low	75 Å²	75	134.8 Å²	134.8	77%	0.773	75%	0.751	S	S	*	*			trans	95.1	103	172	0	0	0	0	0	113.4
869	N	32.6	Very low	34.3	Very low	177 Å²	177	135.4 Å²	135.4	95%	0.947	76%	0.759	S	S	*	*			cis	81.9	103	19.7	-149.6	47.4	0	0	0	115.2
870	G	31	Very low	33.9	Very low	67 Å²	67	137.6 Å²	137.6	69%	0.691	78%	0.779	S	S	*	*			trans	144.4	120.3	164.5	0	0	0	0	0	118.1
871	N	31.6	Very low	33.6	Very low	153 Å²	153	141.8 Å²	141.8	82%	0.818	79%	0.786	S	S	*	*			trans	64.1	103.5	143.3	-63.9	1.8	0	0	0	123.2
872	T	33.6	Very low	33.5	Very low	134 Å²	134	142.8 Å²	142.8	82%	0.822	79%	0.793	S	S	*	*				58.4	158.1	124.3	36.1	0	0	0	0	122
873	P	37.2	Very low	33.7	Very low	108 Å²	108	140.4 Å²	140.4	70%	0.701	79%	0.793	S	S	*	*			trans	-106.8	154.1	-143.1	39.1	-36.5	0	0	0	117
874	H	31	Very low	34.1	Very low	184 Å²	184	139.2 Å²	139.2	85%	0.852	78%	0.783	S	S	*	*				-172.4	151.2	123.4	-116.4	-87.1	0	0	0	113.9
875	S	32	Very low	35	Very low	86 Å²	86	140.7 Å²	140.7	60%	0.601	78%	0.782	S	S	*	*			trans	57.7	96.7	142.7	-156.3	0	0	0	0	121.4
876	D	32.7	Very low	36	Very low	133 Å²	133	135.8 Å²	135.8	71%	0.711	76%	0.76	S	S	*	*				77.9	150.1	125.3	-53.1	-50.8	0	0	0	124.7
877	H	37.4	Very low	37.1	Very low	165 Å²	165	133.6 Å²	133.6	76%	0.764	74%	0.743	S	S	*	*			trans	56.7	93.1	174.2	-65.2	-69.9	0	0	0	118
878	I	36.4	Very low	38.5	Very low	142 Å²	142	131 Å²	131	73%	0.728	73%	0.726	S	S	*	*				59.2	103	72.1	-53.3	166.8	0	0	0	113.4
879	N	34	Very low	40.2	Very low	145 Å²	145	135.1 Å²	135.1	78%	0.775	72%	0.723	S	S	*	*				-167.3	165.4	102.5	-135.1	-26.5	0	0	0	115.5
880	C	34	Very low	42.1	Very low	109 Å²	109	133.3 Å²	133.3	74%	0.736	71%	0.709	S	S	*	*			trans	60.8	74.1	156	-63.7	0	0	0	0	120.4
881	Y	31.5	Very low	43.9	Very low	233 Å²	233	135.7 Å²	135.7	91%	0.914	70%	0.702	S	S	*	*			trans	-91.8	119.7	136.8	-90.2	-91.8	0	0	0	109.4
882	L	37.7	Very low	45.8	Very low	174 Å²	174	132.3 Å²	132.3	91%	0.911	69%	0.687	S	S	*	*			trans	-155.2	86.7	162.4	-154.9	75.3	0	0	0	110.7
883	M	40	Very low	47.9	Very low	161 Å²	161	129.6 Å²	129.6	79%	0.793	67%	0.665	S	S	*	*			trans	-94.9	133.7	168	-92.6	-70.9	167.2	0	0	109.6
884	D	40.3	Very low	49.9	Very low	93 Å²	93	130.9 Å²	130.9	50%	0.497	66%	0.66	S	S	.	*			trans	-77	126.8	-166.7	-170	5.6	0	0	0	112.6	T886 K887	D884-T886 PolarHBondContact O-N 3.28Å; D884-T886 VanDerWaalsContact O-N 3.14Å; D884-T886 PolarHBondContact OD1-N 3.33Å; D884-T886 PolarHBondContact OD1-OG1 3.35Å; D884-T886 WeakPolarHBondContact OD2-CG2 3.18Å; D884-T886 PolarHBondContact OD2-OG1 3.05Å; D884-K887 PolarHBondContact O-N 2.76Å
885	N	50	Low	52	Low	137 Å²	137	128.2 Å²	128.2	73%	0.733	65%	0.651	S	S	*	*	H	α-helix	trans	-60	-23.4	179.5	-79	-63.6	0	0	0	112.6	K887 K889	N885-K887 VanDerWaalsContact C-N 3.3Å; N885-K887 PolarHBondContact O-N 3.29Å; N885-K889 PolarHBondContact O-N 2.96Å
886	T	55	Low	54.4	Low	78 Å²	78	130.1 Å²	130.1	48%	0.479	65%	0.645	S	S	.	*	H	α-helix	trans	-58.5	-41	173.4	63.6	0	0	0	0	112.1	D884 K889 Q890	D884-T886 PolarHBondContact O-N 3.28Å; D884-T886 VanDerWaalsContact O-N 3.14Å; D884-T886 PolarHBondContact OD1-N 3.33Å; D884-T886 PolarHBondContact OD1-OG1 3.35Å; D884-T886 WeakPolarHBondContact OD2-CG2 3.18Å; D884-T886 PolarHBondContact OD2-OG1 3.05Å; T886-K889 WeakPolarHBondContact O-CB 3.23Å; T886-K889 PolarHBondContact O-N 3.22Å; T886-Q890 PolarHBondContact O-N 3.21Å; T886-Q890 VanDerWaalsContact O-N 3.11Å
887	K	55.6	Low	56.8	Low	108 Å²	108	128.4 Å²	128.4	47%	0.47	63%	0.633	S	S	.	*	H	α-helix	trans	-75.7	-42.6	-171.2	-166.2	177.6	-179.6	-176.5	0	112.1	D884 N885 K889 Q890 E891	D884-K887 PolarHBondContact O-N 2.76Å; N885-K887 VanDerWaalsContact C-N 3.3Å; N885-K887 PolarHBondContact O-N 3.29Å; K887-K889 PolarHBondContact O-N 3.01Å; K887-Q890 PolarHBondContact O-N 3.12Å; K887-Q890 VanDerWaalsContact O-N 3.12Å; K887-E891 WeakPolarHBondContact CE-OE1 3.41Å; K887-E891 PolarHBondContact O-N 3Å
888	V	61.8	Low	58.9	Low	89 Å²	89	124.4 Å²	124.4	54%	0.539	62%	0.617	S	S	.	*	H	α-helix	trans	-58.3	-36.4	172.6	-177.9	0	0	0	0	110.8	T892	V888-T892 WeakPolarHBondContact O-CB 3.4Å; V888-T892 WeakPolarHBondContact O-CG2 3.47Å; V888-T892 PolarHBondContact O-N 3.09Å; V888-T892 PolarHBondContact O-OG1 2.7Å
889	K	69.7	Low	61.1	Low	161 Å²	161	125.6 Å²	125.6	70%	0.7	61%	0.613	S	S	*	*	H	α-helix	trans	-71.5	-33.2	178	-150.3	172.5	-172.1	178.2	0	113	N885 T886 K887 T892 E893	N885-K889 PolarHBondContact O-N 2.96Å; T886-K889 WeakPolarHBondContact O-CB 3.23Å; T886-K889 PolarHBondContact O-N 3.22Å; K887-K889 PolarHBondContact O-N 3.01Å; K889-T892 WeakPolarHBondContact CA-OG1 3.15Å; K889-T892 PolarHBondContact O-OG1 3.38Å; K889-E893 WeakPolarHBondContact O-CB 3.19Å; K889-E893 PolarHBondContact O-N 3.2Å
890	Q	71.6	Confident	63.6	Low	139 Å²	139	123.1 Å²	123.1	65%	0.65	60%	0.597	S	S	*	*	H	α-helix	trans	-70.9	-43.2	171.8	-71.8	178.5	-5.5	0	0	112.1	T886 K887 E893 K894	T886-Q890 PolarHBondContact O-N 3.21Å; T886-Q890 VanDerWaalsContact O-N 3.11Å; K887-Q890 PolarHBondContact O-N 3.12Å; K887-Q890 VanDerWaalsContact O-N 3.12Å; Q890-E893 PolarHBondContact O-N 2.97Å; Q890-K894 WeakPolarHBondContact O-CB 3.35Å; Q890-K894 PolarHBondContact O-N 2.99Å
891	E	68.5	Low	65.9	Low	118 Å²	118	122 Å²	122	55%	0.551	58%	0.584	S	S	*	*	H	α-helix	trans	-67.6	-36.5	-179.8	-71.3	177.7	-167.2	0	0	112.1	K887 L895	K887-E891 WeakPolarHBondContact CE-OE1 3.41Å; K887-E891 PolarHBondContact O-N 3Å; E891-L895 PolarHBondContact O-N 3.09Å
892	T	73	Confident	68.3	Low	82 Å²	82	117.7 Å²	117.7	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-70.9	-40.8	174.4	44.3	0	0	0	0	113.5	V888 K889 K894 L895 R896	V888-T892 WeakPolarHBondContact O-CB 3.4Å; V888-T892 WeakPolarHBondContact O-CG2 3.47Å; V888-T892 PolarHBondContact O-N 3.09Å; V888-T892 PolarHBondContact O-OG1 2.7Å; K889-T892 WeakPolarHBondContact CA-OG1 3.15Å; K889-T892 PolarHBondContact O-OG1 3.38Å; T892-K894 VanDerWaalsContact C-N 3.34Å; T892-L895 PolarHBondContact O-N 2.81Å; T892-R896 WeakPolarHBondContact O-CB 3.47Å; T892-R896 PolarHBondContact O-N 3.34Å
893	E	75.8	Confident	70.5	Confident	77 Å²	77	112.6 Å²	112.6	36%	0.36	55%	0.547	S	S	.	.	H	α-helix	trans	-66.2	-36.2	173.4	178.5	55.3	-151.5	0	0	111.7	K889 Q890 R896 Q897	K889-E893 WeakPolarHBondContact O-CB 3.19Å; K889-E893 PolarHBondContact O-N 3.2Å; Q890-E893 PolarHBondContact O-N 2.97Å; E893-R896 WeakPolarHBondContact O-CB 3.41Å; E893-R896 PolarHBondContact O-N 3.14Å; E893-R896 IonicContact OE1-NE 3.77Å; E893-R896 VanDerWaalsContact OE2-CD 3.29Å; E893-R896 WeakPolarHBondContact OE2-CD 3.05Å; E893-R896 IonicContact OE2-NE 2.81Å; E893-R896 PolarHBondContact OE2-NE 3.35Å; E893-Q897 WeakPolarHBondContact O-CG 3.11Å; E893-Q897 PolarHBondContact O-N 2.77Å; E893-Q897 PolarHBondContact OE1-NE2 3.26Å
894	K	79.5	Confident	72.8	Confident	134 Å²	134	111.3 Å²	111.3	58%	0.583	54%	0.536	S	S	*	.	H	α-helix	trans	-60.6	-47.6	171.2	-175.3	-172.5	171.9	-170.4	0	111.4	Q890 T892 R896 Q897 D898	Q890-K894 WeakPolarHBondContact O-CB 3.35Å; Q890-K894 PolarHBondContact O-N 2.99Å; T892-K894 VanDerWaalsContact C-N 3.34Å; K894-R896 VanDerWaalsContact C-N 3.26Å; K894-R896 PolarHBondContact O-N 2.89Å; K894-Q897 PolarHBondContact O-N 3.25Å; K894-Q897 VanDerWaalsContact O-N 3.12Å; K894-D898 WeakPolarHBondContact CE-OD2 3.44Å; K894-D898 PolarHBondContact O-N 2.73Å
895	L	76.2	Confident	74.8	Confident	129 Å²	129	114.2 Å²	114.2	68%	0.675	55%	0.545	S	S	*	.	H	α-helix	trans	-61.1	-37.3	179.6	-149.6	78.5	0	0	0	111.9	E891 T892 D898 Y899	E891-L895 PolarHBondContact O-N 3.09Å; T892-L895 PolarHBondContact O-N 2.81Å; L895-D898 PolarHBondContact O-N 3.32Å; L895-Y899 WeakPolarHBondContact O-CB 3.44Å; L895-Y899 PolarHBondContact O-N 2.87Å
896	R	82.6	Confident	76.2	Confident	125 Å²	125	110.8 Å²	110.8	47%	0.472	53%	0.531	S	S	.	.	H	α-helix	trans	-62.7	-44.5	173.1	174.6	-179.1	137.5	52.6	30.3	111.8	T892 E893 K894 Y899 E900	T892-R896 WeakPolarHBondContact O-CB 3.47Å; T892-R896 PolarHBondContact O-N 3.34Å; E893-R896 WeakPolarHBondContact O-CB 3.41Å; E893-R896 PolarHBondContact O-N 3.14Å; E893-R896 IonicContact OE1-NE 3.77Å; E893-R896 VanDerWaalsContact OE2-CD 3.29Å; E893-R896 WeakPolarHBondContact OE2-CD 3.05Å; E893-R896 IonicContact OE2-NE 2.81Å; E893-R896 PolarHBondContact OE2-NE 3.35Å; K894-R896 VanDerWaalsContact C-N 3.26Å; K894-R896 PolarHBondContact O-N 2.89Å; R896-Y899 PolarHBondContact O-N 3.09Å; R896-E900 IonicContact CZ-OE1 3.64Å; R896-E900 IonicContact NH1-OE1 3.56Å; R896-E900 PolarHBondContact NH1-OE1 3.06Å; R896-E900 IonicContact NH2-OE1 2.85Å; R896-E900 PolarHBondContact NH2-OE1 2.93Å; R896-E900 IonicContact NH2-OE2 2.69Å; R896-E900 PolarHBondContact NH2-OE2 2.68Å; R896-E900 PolarHBondContact O-N 3.33Å
897	Q	83.3	Confident	77.7	Confident	97 Å²	97	112.3 Å²	112.3	45%	0.453	53%	0.533	S	S	.	.	H	α-helix	trans	-67.2	-39.1	175.6	-70.3	175.2	21.5	0	0	112.5	E893 K894 Y899 E900 N901	E893-Q897 WeakPolarHBondContact O-CG 3.11Å; E893-Q897 PolarHBondContact O-N 2.77Å; E893-Q897 PolarHBondContact OE1-NE2 3.26Å; K894-Q897 PolarHBondContact O-N 3.25Å; K894-Q897 VanDerWaalsContact O-N 3.12Å; Q897-Y899 VanDerWaalsContact C-N 3.33Å; Q897-Y899 PolarHBondContact O-N 2.98Å; Q897-E900 PolarHBondContact O-N 2.66Å; Q897-N901 VanDerWaalsContact O-CB 3.28Å; Q897-N901 WeakPolarHBondContact O-CB 3.2Å; Q897-N901 VanDerWaalsContact O-CG 3.3Å; Q897-N901 PolarHBondContact O-N 3.11Å; Q897-N901 PolarHBondContact O-ND2 3.39Å
898	D	81.3	Confident	79.2	Confident	81 Å²	81	111 Å²	111	43%	0.433	53%	0.531	S	S	.	.	H	α-helix	trans	-64.5	-36.9	175.3	-76.4	-32.3	0	0	0	111.4	K894 L895 F902	K894-D898 WeakPolarHBondContact CE-OD2 3.44Å; K894-D898 PolarHBondContact O-N 2.73Å; L895-D898 PolarHBondContact O-N 3.32Å; D898-F902 WeakPolarHBondContact O-CB 3.44Å; D898-F902 PolarHBondContact O-N 3.36Å
899	Y	82.9	Confident	80.4	Confident	167 Å²	167	114.6 Å²	114.6	66%	0.655	54%	0.535	S	S	*	.	H	α-helix	trans	-67.2	-44.3	172.9	-177.6	-95.2	0	0	0	113.2	L895 R896 Q897 N901 F902 T903	L895-Y899 WeakPolarHBondContact O-CB 3.44Å; L895-Y899 PolarHBondContact O-N 2.87Å; R896-Y899 PolarHBondContact O-N 3.09Å; Q897-Y899 VanDerWaalsContact C-N 3.33Å; Q897-Y899 PolarHBondContact O-N 2.98Å; Y899-N901 VanDerWaalsContact C-N 3.34Å; Y899-N901 PolarHBondContact O-N 3.48Å; Y899-F902 PolarHBondContact O-N 3.47Å; Y899-T903 WeakPolarHBondContact O-CB 3.22Å; Y899-T903 PolarHBondContact O-N 3.38Å; Y899-T903 PolarHBondContact O-OG1 2.98Å
900	E	84.9	Confident	81.2	Confident	94 Å²	94	110.4 Å²	110.4	44%	0.439	52%	0.518	S	S	.	.	H	α-helix	trans	-63.4	-40.3	174.9	-73.8	-178.4	171.7	0	0	111.3	R896 Q897 K904	R896-E900 IonicContact CZ-OE1 3.64Å; R896-E900 IonicContact NH1-OE1 3.56Å; R896-E900 PolarHBondContact NH1-OE1 3.06Å; R896-E900 IonicContact NH2-OE1 2.85Å; R896-E900 PolarHBondContact NH2-OE1 2.93Å; R896-E900 IonicContact NH2-OE2 2.69Å; R896-E900 PolarHBondContact NH2-OE2 2.68Å; R896-E900 PolarHBondContact O-N 3.33Å; Q897-E900 PolarHBondContact O-N 2.66Å; E900-K904 WeakPolarHBondContact O-CB 3.49Å; E900-K904 PolarHBondContact O-N 3.29Å
901	N	82.8	Confident	82	Confident	85 Å²	85	109 Å²	109	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-41	173.9	-80.3	-47.1	0	0	0	112.8	Q897 Y899 K905	Q897-N901 VanDerWaalsContact O-CB 3.28Å; Q897-N901 WeakPolarHBondContact O-CB 3.2Å; Q897-N901 VanDerWaalsContact O-CG 3.3Å; Q897-N901 PolarHBondContact O-N 3.11Å; Q897-N901 PolarHBondContact O-ND2 3.39Å; Y899-N901 VanDerWaalsContact C-N 3.34Å; Y899-N901 PolarHBondContact O-N 3.48Å; N901-K905 WeakPolarHBondContact O-CB 3.34Å; N901-K905 WeakPolarHBondContact O-CG 3.44Å; N901-K905 PolarHBondContact O-N 2.93Å
902	F	82.3	Confident	82.8	Confident	142 Å²	142	106.9 Å²	106.9	62%	0.623	50%	0.5	S	S	*	.	H	α-helix	trans	-64.7	-49.3	175.7	179	-94.8	0	0	0	111.3	D898 Y899 K904 K905 S906	D898-F902 WeakPolarHBondContact O-CB 3.44Å; D898-F902 PolarHBondContact O-N 3.36Å; Y899-F902 PolarHBondContact O-N 3.47Å; F902-K904 VanDerWaalsContact C-N 3.29Å; F902-K904 PolarHBondContact O-N 2.76Å; F902-K905 PolarHBondContact O-N 2.84Å; F902-K905 VanDerWaalsContact O-N 3.16Å; F902-S906 PolarHBondContact O-N 2.9Å
903	T	84.3	Confident	83.3	Confident	68 Å²	68	108.1 Å²	108.1	42%	0.417	50%	0.496	S	S	.	.	H	α-helix	trans	-56.9	-44.7	178.4	-54	0	0	0	0	110.8	Y899 S906 H907	Y899-T903 WeakPolarHBondContact O-CB 3.22Å; Y899-T903 PolarHBondContact O-N 3.38Å; Y899-T903 PolarHBondContact O-OG1 2.98Å; T903-S906 PolarHBondContact O-N 3.38Å; T903-H907 WeakPolarHBondContact O-CB 3.37Å; T903-H907 PolarHBondContact O-N 2.97Å; T903-H907 VanDerWaalsContact O-N 3.09Å
904	K	87.6	Confident	83.8	Confident	133 Å²	133	108.6 Å²	108.6	58%	0.578	50%	0.498	S	S	*	.	H	α-helix	trans	-62.8	-48	175.6	-174	177.9	178.6	-177	0	112.4	E900 F902 S906 H907 D908	E900-K904 WeakPolarHBondContact O-CB 3.49Å; E900-K904 PolarHBondContact O-N 3.29Å; F902-K904 VanDerWaalsContact C-N 3.29Å; F902-K904 PolarHBondContact O-N 2.76Å; K904-S906 VanDerWaalsContact C-N 3.33Å; K904-S906 PolarHBondContact O-N 3.45Å; K904-H907 PolarHBondContact O-N 3.47Å; K904-D908 PolarHBondContact O-N 2.9Å
905	K	83	Confident	84.3	Confident	155 Å²	155	107.6 Å²	107.6	67%	0.674	49%	0.494	S	S	*	.	H	α-helix	trans	-59.5	-41	176.7	-78.8	176.1	178.9	176	0	112.3	N901 F902 H907 D908 W909	N901-K905 WeakPolarHBondContact O-CB 3.34Å; N901-K905 WeakPolarHBondContact O-CG 3.44Å; N901-K905 PolarHBondContact O-N 2.93Å; F902-K905 PolarHBondContact O-N 2.84Å; F902-K905 VanDerWaalsContact O-N 3.16Å; K905-H907 VanDerWaalsContact C-N 3.34Å; K905-D908 PolarHBondContact O-N 3.14Å; K905-W909 VanDerWaalsContact O-CB 3.3Å; K905-W909 WeakPolarHBondContact O-CB 3.42Å; K905-W909 PolarHBondContact O-N 3.23Å
906	S	78.4	Confident	84.7	Confident	64 Å²	64	106.4 Å²	106.4	45%	0.448	49%	0.485	S	S	.	.	H	α-helix	trans	-62.6	-41.8	176.6	-166.1	0	0	0	0	111.7	F902 T903 K904 W909 E910	F902-S906 PolarHBondContact O-N 2.9Å; T903-S906 PolarHBondContact O-N 3.38Å; K904-S906 VanDerWaalsContact C-N 3.33Å; K904-S906 PolarHBondContact O-N 3.45Å; S906-W909 PolarHBondContact O-N 2.96Å; S906-E910 PolarHBondContact O-N 3.02Å
907	H	86.8	Confident	84.8	Confident	111 Å²	111	107 Å²	107	51%	0.514	49%	0.487	S	S	.	.	H	α-helix	trans	-76.1	-29.2	-179.4	-173.4	70	0	0	0	113.3	T903 K904 K905 K911	T903-H907 WeakPolarHBondContact O-CB 3.37Å; T903-H907 PolarHBondContact O-N 2.97Å; T903-H907 VanDerWaalsContact O-N 3.09Å; K904-H907 PolarHBondContact O-N 3.47Å; K905-H907 VanDerWaalsContact C-N 3.34Å; H907-K911 VanDerWaalsContact CD2-CE 3.48Å; H907-K911 WeakPolarHBondContact CD2-CE 3.35Å; H907-K911 PolarHBondContact CD2-NZ 3.15Å; H907-K911 WeakPolarHBondContact NE2-CE 3.34Å; H907-K911 PolarHBondContact NE2-NZ 3.46Å; H907-K911 WeakPolarHBondContact O-CG 3.38Å; H907-K911 PolarHBondContact O-N 2.8Å
908	D	86	Confident	85	Confident	79 Å²	79	104.7 Å²	104.7	42%	0.422	48%	0.481	S	S	.	.	H	α-helix	trans	-76.2	-32.8	171	-70.8	-23.5	0	0	0	111.9	K904 K905 K911 E912	K904-D908 PolarHBondContact O-N 2.9Å; K905-D908 PolarHBondContact O-N 3.14Å; D908-K911 IonicContact OD1-NZ 2.74Å; D908-E912 PolarHBondContact O-N 3.26Å
909	W	88	Confident	85.2	Confident	166 Å²	166	103.5 Å²	103.5	63%	0.629	48%	0.477	S	S	*	.	H	α-helix	trans	-65.1	-46.4	171.4	-178.6	90.4	0	0	0	111.8	K905 S906 K911 E912 Y913	K905-W909 VanDerWaalsContact O-CB 3.3Å; K905-W909 WeakPolarHBondContact O-CB 3.42Å; K905-W909 PolarHBondContact O-N 3.23Å; S906-W909 PolarHBondContact O-N 2.96Å; W909-K911 VanDerWaalsContact C-N 3.3Å; W909-K911 PolarHBondContact O-N 3.06Å; W909-E912 PolarHBondContact O-N 3.01Å; W909-E912 VanDerWaalsContact O-N 3.11Å; W909-Y913 HydrophobicContact CH2-CG 4.3Å; W909-Y913 HydrophobicContact CZ3-CG 4.43Å; W909-Y913 WeakPolarHBondContact O-CB 3.29Å; W909-Y913 PolarHBondContact O-N 3.45Å
910	E	86.6	Confident	85.1	Confident	72 Å²	72	101.2 Å²	101.2	34%	0.336	48%	0.475	S	S	.	.	H	α-helix	trans	-58	-41.9	176.9	-178.3	56.9	-146.4	0	0	111.6	S906 E912 Y913 Q914	S906-E910 PolarHBondContact O-N 3.02Å; E910-E912 PolarHBondContact O-N 3Å; E910-Y913 PolarHBondContact O-N 3.04Å; E910-Q914 VanDerWaalsContact O-CG 3.29Å; E910-Q914 WeakPolarHBondContact O-CG 3.31Å; E910-Q914 PolarHBondContact O-N 2.89Å; E910-Q914 WeakPolarHBondContact OE1-CG 3.22Å; E910-Q914 PolarHBondContact OE1-NE2 2.99Å
911	K	88.2	Confident	85.2	Confident	109 Å²	109	102 Å²	102	47%	0.474	48%	0.478	S	S	.	.	H	α-helix	trans	-61.5	-42.3	175	-73.9	168.4	-170.4	161.3	0	112.9	H907 D908 W909 K915	H907-K911 VanDerWaalsContact CD2-CE 3.48Å; H907-K911 WeakPolarHBondContact CD2-CE 3.35Å; H907-K911 PolarHBondContact CD2-NZ 3.15Å; H907-K911 WeakPolarHBondContact NE2-CE 3.34Å; H907-K911 PolarHBondContact NE2-NZ 3.46Å; H907-K911 WeakPolarHBondContact O-CG 3.38Å; H907-K911 PolarHBondContact O-N 2.8Å; D908-K911 IonicContact OD1-NZ 2.74Å; W909-K911 VanDerWaalsContact C-N 3.3Å; W909-K911 PolarHBondContact O-N 3.06Å; K911-K915 WeakPolarHBondContact O-CB 3.45Å; K911-K915 PolarHBondContact O-N 3.45Å
912	E	84.8	Confident	85.4	Confident	75 Å²	75	104 Å²	104	35%	0.35	48%	0.48	S	S	.	.	H	α-helix	trans	-71.2	-35.5	178.6	-172.4	56.3	-143.6	0	0	111.4	D908 W909 E910 K915 Q916	D908-E912 PolarHBondContact O-N 3.26Å; W909-E912 PolarHBondContact O-N 3.01Å; W909-E912 VanDerWaalsContact O-N 3.11Å; E910-E912 PolarHBondContact O-N 3Å; E912-K915 PolarHBondContact O-N 3.16Å; E912-K915 IonicContact OE1-NZ 3.83Å; E912-K915 PolarHBondContact OE1-NZ 3.4Å; E912-K915 IonicContact OE2-NZ 2.74Å; E912-K915 PolarHBondContact OE2-NZ 2.86Å; E912-Q916 WeakPolarHBondContact O-CB 3.34Å; E912-Q916 WeakPolarHBondContact O-CG 3.28Å; E912-Q916 PolarHBondContact O-N 2.66Å; E912-Q916 PolarHBondContact OE1-NE2 2.82Å
913	Y	85	Confident	85.4	Confident	108 Å²	108	101.4 Å²	101.4	42%	0.424	47%	0.47	S	S	.	.	H	α-helix	trans	-61.9	-50.9	172.7	176.3	-115.4	0	0	0	111.9	W909 E910 K915 Q916 R917	W909-Y913 HydrophobicContact CH2-CG 4.3Å; W909-Y913 HydrophobicContact CZ3-CG 4.43Å; W909-Y913 WeakPolarHBondContact O-CB 3.29Å; W909-Y913 PolarHBondContact O-N 3.45Å; E910-Y913 PolarHBondContact O-N 3.04Å; Y913-K915 VanDerWaalsContact C-N 3.3Å; Y913-K915 PolarHBondContact O-N 3.35Å; Y913-Q916 PolarHBondContact O-N 3.23Å; Y913-Q916 VanDerWaalsContact O-N 3.14Å; Y913-R917 PolarHBondContact O-N 3.04Å
914	Q	86.5	Confident	85.3	Confident	87 Å²	87	104.2 Å²	104.2	41%	0.407	48%	0.478	S	S	.	.	H	α-helix	trans	-61.2	-38.3	176	-65.7	-67.6	-10.7	0	0	112.1	E910 R917 S918	E910-Q914 VanDerWaalsContact O-CG 3.29Å; E910-Q914 WeakPolarHBondContact O-CG 3.31Å; E910-Q914 PolarHBondContact O-N 2.89Å; E910-Q914 WeakPolarHBondContact OE1-CG 3.22Å; E910-Q914 PolarHBondContact OE1-NE2 2.99Å; Q914-R917 PolarHBondContact O-N 2.85Å; Q914-S918 WeakPolarHBondContact O-CB 3.24Å; Q914-S918 PolarHBondContact O-N 2.97Å
915	K	89.3	Confident	85.3	Confident	113 Å²	113	102.3 Å²	102.3	49%	0.491	47%	0.474	S	S	.	.	H	α-helix	trans	-65	-37.5	174.4	168.9	168.2	156.6	-82.4	0	112.8	K911 E912 Y913 T919	K911-K915 WeakPolarHBondContact O-CB 3.45Å; K911-K915 PolarHBondContact O-N 3.45Å; E912-K915 PolarHBondContact O-N 3.16Å; E912-K915 IonicContact OE1-NZ 3.83Å; E912-K915 PolarHBondContact OE1-NZ 3.4Å; E912-K915 IonicContact OE2-NZ 2.74Å; E912-K915 PolarHBondContact OE2-NZ 2.86Å; Y913-K915 VanDerWaalsContact C-N 3.3Å; Y913-K915 PolarHBondContact O-N 3.35Å; K915-T919 WeakPolarHBondContact O-CB 3.26Å; K915-T919 PolarHBondContact O-N 3.17Å; K915-T919 PolarHBondContact O-OG1 3.08Å
916	Q	83.8	Confident	85.6	Confident	104 Å²	104	100.3 Å²	100.3	49%	0.486	47%	0.465	S	S	.	.	H	α-helix	trans	-70	-47	173.6	-74	175.9	28	0	0	111.2	E912 Y913 S918 T919 I920	E912-Q916 WeakPolarHBondContact O-CB 3.34Å; E912-Q916 WeakPolarHBondContact O-CG 3.28Å; E912-Q916 PolarHBondContact O-N 2.66Å; E912-Q916 PolarHBondContact OE1-NE2 2.82Å; Y913-Q916 PolarHBondContact O-N 3.23Å; Y913-Q916 VanDerWaalsContact O-N 3.14Å; Q916-S918 PolarHBondContact O-N 2.76Å; Q916-T919 WeakPolarHBondContact O-CA 3.48Å; Q916-T919 WeakPolarHBondContact O-CB 3.19Å; Q916-T919 PolarHBondContact O-N 3.21Å; Q916-I920 WeakPolarHBondContact O-CG1 3.09Å; Q916-I920 PolarHBondContact O-N 2.6Å
917	R	84.9	Confident	85.7	Confident	138 Å²	138	101.1 Å²	101.1	52%	0.521	46%	0.463	S	S	.	.	H	α-helix	trans	-53.9	-52.9	175.2	-176.5	178.3	178.6	169.5	2.1	111.9	Y913 Q914 T919 I920 E921	Y913-R917 PolarHBondContact O-N 3.04Å; Q914-R917 PolarHBondContact O-N 2.85Å; R917-T919 PolarHBondContact O-N 3.26Å; R917-T919 VanDerWaalsContact O-N 3.15Å; R917-I920 PolarHBondContact O-N 3.21Å; R917-E921 WeakPolarHBondContact O-CB 3.36Å; R917-E921 PolarHBondContact O-N 3.13Å
918	S	86.9	Confident	85.7	Confident	47 Å²	47	98.1 Å²	98.1	33%	0.329	46%	0.458	S	S	.	.	H	α-helix	trans	-58.4	-27.5	175.8	175.4	0	0	0	0	113.2	Q914 Q916 R922	Q914-S918 WeakPolarHBondContact O-CB 3.24Å; Q914-S918 PolarHBondContact O-N 2.97Å; Q916-S918 PolarHBondContact O-N 2.76Å; S918-R922 WeakPolarHBondContact O-CB 3.42Å; S918-R922 WeakPolarHBondContact O-CG 3.34Å; S918-R922 PolarHBondContact O-N 3.45Å; S918-R922 VanDerWaalsContact O-N 3.14Å; S918-R922 PolarHBondContact O-NE 3.03Å; S918-R922 PolarHBondContact O-NH2 3.42Å; S918-R922 PolarHBondContact OG-NE 2.65Å; S918-R922 PolarHBondContact OG-NH2 2.58Å
919	T	85.7	Confident	85.8	Confident	56 Å²	56	101.3 Å²	101.3	34%	0.344	47%	0.468	S	S	.	.	H	α-helix	trans	-82.8	-39.2	179.5	-56.8	0	0	0	0	112	K915 Q916 R917 E921 R922 E923	K915-T919 WeakPolarHBondContact O-CB 3.26Å; K915-T919 PolarHBondContact O-N 3.17Å; K915-T919 PolarHBondContact O-OG1 3.08Å; Q916-T919 WeakPolarHBondContact O-CA 3.48Å; Q916-T919 WeakPolarHBondContact O-CB 3.19Å; Q916-T919 PolarHBondContact O-N 3.21Å; R917-T919 PolarHBondContact O-N 3.26Å; R917-T919 VanDerWaalsContact O-N 3.15Å; T919-E921 VanDerWaalsContact C-N 3.33Å; T919-R922 PolarHBondContact O-N 3.42Å; T919-R922 PolarHBondContact OG1-NH1 3.01Å; T919-R922 PolarHBondContact OG1-NH2 2.84Å; T919-E923 PolarHBondContact O-N 3.41Å
920	I	81.7	Confident	85.7	Confident	119 Å²	119	98.6 Å²	98.6	61%	0.61	46%	0.463	S	S	*	.	H	α-helix	trans	-61.2	-44.4	170.5	-66.4	164.9	0	0	0	109.9	Q916 R917 R922 E923 H924	Q916-I920 WeakPolarHBondContact O-CG1 3.09Å; Q916-I920 PolarHBondContact O-N 2.6Å; R917-I920 PolarHBondContact O-N 3.21Å; I920-R922 PolarHBondContact O-N 3.1Å; I920-E923 PolarHBondContact O-N 2.78Å; I920-H924 VanDerWaalsContact O-CB 3.32Å; I920-H924 WeakPolarHBondContact O-CB 3.33Å; I920-H924 PolarHBondContact O-N 3.32Å
921	E	86	Confident	85.5	Confident	110 Å²	110	103.4 Å²	103.4	51%	0.514	48%	0.477	S	S	.	.	H	α-helix	trans	-62.9	-38.3	177.6	-172.3	168.3	-128	0	0	112.6	R917 T919 N925	R917-E921 WeakPolarHBondContact O-CB 3.36Å; R917-E921 PolarHBondContact O-N 3.13Å; T919-E921 VanDerWaalsContact C-N 3.33Å; E921-N925 WeakPolarHBondContact O-CB 3.14Å; E921-N925 VanDerWaalsContact O-CG 3.25Å; E921-N925 PolarHBondContact O-N 3.16Å; E921-N925 PolarHBondContact O-ND2 3Å
922	R	87.4	Confident	85.4	Confident	127 Å²	127	104 Å²	104	48%	0.479	48%	0.482	S	S	.	.	H	α-helix	trans	-66.1	-43.6	172.9	-86.9	177.6	-84.3	105	1.6	113.3	S918 T919 I920 K926	S918-R922 WeakPolarHBondContact O-CB 3.42Å; S918-R922 WeakPolarHBondContact O-CG 3.34Å; S918-R922 PolarHBondContact O-N 3.45Å; S918-R922 VanDerWaalsContact O-N 3.14Å; S918-R922 PolarHBondContact O-NE 3.03Å; S918-R922 PolarHBondContact O-NH2 3.42Å; S918-R922 PolarHBondContact OG-NE 2.65Å; S918-R922 PolarHBondContact OG-NH2 2.58Å; T919-R922 PolarHBondContact O-N 3.42Å; T919-R922 PolarHBondContact OG1-NH1 3.01Å; T919-R922 PolarHBondContact OG1-NH2 2.84Å; I920-R922 PolarHBondContact O-N 3.1Å; R922-K926 WeakPolarHBondContact O-CB 3.42Å; R922-K926 PolarHBondContact O-N 3.41Å; R922-K926 VanDerWaalsContact O-N 3.1Å
923	E	82.7	Confident	85.7	Confident	89 Å²	89	105.7 Å²	105.7	42%	0.416	49%	0.493	S	S	.	.	H	α-helix	trans	-70.1	-35.8	175.1	-68.2	-58.2	136.6	0	0	111.8	T919 I920 K926 I927	T919-E923 PolarHBondContact O-N 3.41Å; I920-E923 PolarHBondContact O-N 2.78Å; E923-K926 WeakPolarHBondContact O-CB 3.23Å; E923-K926 PolarHBondContact O-N 2.88Å; E923-K926 IonicContact OE2-NZ 2.66Å; E923-K926 PolarHBondContact OE2-NZ 3.45Å; E923-I927 VanDerWaalsContact O-CG1 3.29Å; E923-I927 WeakPolarHBondContact O-CG1 3.18Å; E923-I927 PolarHBondContact O-N 3.18Å
924	H	82.2	Confident	85.6	Confident	127 Å²	127	105.3 Å²	105.3	59%	0.588	50%	0.497	S	S	*	.	H	α-helix	trans	-62.5	-45.4	175.3	-169.4	-97.7	0	0	0	111.6	I920 K926 I927 A928	I920-H924 VanDerWaalsContact O-CB 3.32Å; I920-H924 WeakPolarHBondContact O-CB 3.33Å; I920-H924 PolarHBondContact O-N 3.32Å; H924-K926 VanDerWaalsContact C-N 3.27Å; H924-K926 PolarHBondContact O-N 2.65Å; H924-I927 PolarHBondContact O-N 2.69Å; H924-A928 WeakPolarHBondContact O-CB 3.49Å; H924-A928 PolarHBondContact O-N 2.95Å
925	N	86.9	Confident	85.6	Confident	93 Å²	93	105.7 Å²	105.7	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-67.5	-25.2	175.7	-71.8	-21.3	0	0	0	113.3	E921 K929	E921-N925 WeakPolarHBondContact O-CB 3.14Å; E921-N925 VanDerWaalsContact O-CG 3.25Å; E921-N925 PolarHBondContact O-N 3.16Å; E921-N925 PolarHBondContact O-ND2 3Å; N925-K929 WeakPolarHBondContact O-CG 3.37Å; N925-K929 PolarHBondContact O-N 3.2Å
926	K	89.1	Confident	85.6	Confident	113 Å²	113	105.2 Å²	105.2	49%	0.491	50%	0.502	S	S	.	.	H	α-helix	trans	-73.8	-48.4	171.5	176	-176.7	144.9	-145.7	0	111.2	R922 E923 H924 A928 K929 E930	R922-K926 WeakPolarHBondContact O-CB 3.42Å; R922-K926 PolarHBondContact O-N 3.41Å; R922-K926 VanDerWaalsContact O-N 3.1Å; E923-K926 WeakPolarHBondContact O-CB 3.23Å; E923-K926 PolarHBondContact O-N 2.88Å; E923-K926 IonicContact OE2-NZ 2.66Å; E923-K926 PolarHBondContact OE2-NZ 3.45Å; H924-K926 VanDerWaalsContact C-N 3.27Å; H924-K926 PolarHBondContact O-N 2.65Å; K926-A928 VanDerWaalsContact C-N 3.27Å; K926-A928 PolarHBondContact O-N 3.45Å; K926-K929 PolarHBondContact O-N 2.85Å; K926-E930 PolarHBondContact O-N 3.03Å
927	I	82.3	Confident	85.8	Confident	80 Å²	80	103.9 Å²	103.9	41%	0.41	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-35.7	176.9	-67.8	163.9	0	0	0	111.1	E923 H924 E930 R931	E923-I927 VanDerWaalsContact O-CG1 3.29Å; E923-I927 WeakPolarHBondContact O-CG1 3.18Å; E923-I927 PolarHBondContact O-N 3.18Å; H924-I927 PolarHBondContact O-N 2.69Å; I927-E930 PolarHBondContact O-N 2.85Å; I927-R931 WeakPolarHBondContact O-CG 3.48Å; I927-R931 PolarHBondContact O-N 2.88Å
928	A	85.1	Confident	86	Confident	48 Å²	48	103.3 Å²	103.3	40%	0.397	49%	0.494	S	S	.	.	H	α-helix	trans	-60.1	-45.4	174.3	0	0	0	0	0	112	H924 K926 R931 E932	H924-A928 WeakPolarHBondContact O-CB 3.49Å; H924-A928 PolarHBondContact O-N 2.95Å; K926-A928 VanDerWaalsContact C-N 3.27Å; K926-A928 PolarHBondContact O-N 3.45Å; A928-R931 PolarHBondContact O-N 2.84Å; A928-E932 WeakPolarHBondContact O-CB 3.38Å; A928-E932 PolarHBondContact O-N 3.47Å
929	K	88.9	Confident	86	Confident	146 Å²	146	104.2 Å²	104.2	64%	0.635	50%	0.498	S	S	*	.	H	α-helix	trans	-69.2	-33.6	176	-70.4	-175.1	175.4	-160.5	0	113.4	N925 K926 E932 L933	N925-K929 WeakPolarHBondContact O-CG 3.37Å; N925-K929 PolarHBondContact O-N 3.2Å; K926-K929 PolarHBondContact O-N 2.85Å; K929-E932 PolarHBondContact O-N 3.49Å; K929-L933 WeakPolarHBondContact O-CB 3.24Å; K929-L933 PolarHBondContact O-N 3.18Å
930	E	85.6	Confident	86.2	Confident	110 Å²	110	106.3 Å²	106.3	51%	0.514	50%	0.504	S	S	.	.	H	α-helix	trans	-67	-38.8	175.3	-165.2	166.6	-177.7	0	0	110.9	K926 I927 L934	K926-E930 PolarHBondContact O-N 3.03Å; I927-E930 PolarHBondContact O-N 2.85Å; E930-L934 VanDerWaalsContact O-CG 3.31Å; E930-L934 WeakPolarHBondContact O-CG 3.36Å; E930-L934 PolarHBondContact O-N 3.4Å; E930-L934 VanDerWaalsContact O-N 3.07Å
931	R	82.7	Confident	86.4	Confident	172 Å²	172	104.9 Å²	104.9	65%	0.649	50%	0.497	S	S	*	.	H	α-helix	trans	-66.6	-43.9	170.1	-73.3	178.4	174	-147.9	-3.9	113.1	I927 A928 L933 L934 E935	I927-R931 WeakPolarHBondContact O-CG 3.48Å; I927-R931 PolarHBondContact O-N 2.88Å; A928-R931 PolarHBondContact O-N 2.84Å; R931-L933 VanDerWaalsContact C-N 3.28Å; R931-L933 PolarHBondContact O-N 3.26Å; R931-L934 PolarHBondContact O-N 3.4Å; R931-E935 WeakPolarHBondContact O-CB 3.44Å; R931-E935 PolarHBondContact O-N 3.16Å
932	E	87	Confident	86.4	Confident	123 Å²	123	103.8 Å²	103.8	58%	0.575	49%	0.492	S	S	*	.	H	α-helix	trans	-58.2	-40.8	176.1	-175.1	179.2	-164	0	0	111.3	A928 K929 N936	A928-E932 WeakPolarHBondContact O-CB 3.38Å; A928-E932 PolarHBondContact O-N 3.47Å; K929-E932 PolarHBondContact O-N 3.49Å; E932-N936 PolarHBondContact O-N 2.77Å; E932-N936 PolarHBondContact O-ND2 3.3Å
933	L	89.7	Confident	86.5	Confident	110 Å²	110	105 Å²	105	58%	0.576	50%	0.497	S	S	*	.	H	α-helix	trans	-66.4	-46.6	174.8	-164.6	159.4	0	0	0	111.8	K929 R931 E935 N936 E937	K929-L933 WeakPolarHBondContact O-CB 3.24Å; K929-L933 PolarHBondContact O-N 3.18Å; R931-L933 VanDerWaalsContact C-N 3.28Å; R931-L933 PolarHBondContact O-N 3.26Å; L933-E935 VanDerWaalsContact C-N 3.34Å; L933-E935 PolarHBondContact O-N 3.19Å; L933-N936 WeakPolarHBondContact O-CB 3.11Å; L933-N936 PolarHBondContact O-N 3.26Å; L933-E937 PolarHBondContact O-N 3.34Å
934	L	83.8	Confident	86.7	Confident	99 Å²	99	106 Å²	106	52%	0.518	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-32.9	179.2	-72.3	168.3	0	0	0	113.4	E930 R931 E937 R938	E930-L934 VanDerWaalsContact O-CG 3.31Å; E930-L934 WeakPolarHBondContact O-CG 3.36Å; E930-L934 PolarHBondContact O-N 3.4Å; E930-L934 VanDerWaalsContact O-N 3.07Å; R931-L934 PolarHBondContact O-N 3.4Å; L934-E937 PolarHBondContact O-N 3.49Å; L934-R938 VanDerWaalsContact O-CB 3.27Å; L934-R938 WeakPolarHBondContact O-CB 3.21Å; L934-R938 PolarHBondContact O-N 3.21Å
935	E	85.2	Confident	86.9	Confident	96 Å²	96	105.3 Å²	105.3	45%	0.449	49%	0.494	S	S	.	.	H	α-helix	trans	-70.7	-35.1	174.7	-160.4	69.3	-126.3	0	0	111.7	R931 L933 R938 T939	R931-E935 WeakPolarHBondContact O-CB 3.44Å; R931-E935 PolarHBondContact O-N 3.16Å; L933-E935 VanDerWaalsContact C-N 3.34Å; L933-E935 PolarHBondContact O-N 3.19Å; E935-R938 WeakPolarHBondContact OE1-CD 3.14Å; E935-R938 IonicContact OE1-CZ 3.68Å; E935-R938 IonicContact OE1-NE 2.75Å; E935-R938 IonicContact OE1-NH1 3.31Å; E935-R938 PolarHBondContact OE1-NH1 2.83Å; E935-T939 WeakPolarHBondContact O-CG2 3.36Å; E935-T939 PolarHBondContact O-N 3.37Å; E935-T939 PolarHBondContact O-OG1 2.88Å
936	N	89.4	Confident	86.9	Confident	103 Å²	103	106.3 Å²	106.3	55%	0.551	50%	0.496	S	S	*	.	H	α-helix	trans	-68.1	-40.5	171.6	-71.5	-48.5	0	0	0	111.9	E932 L933 T939 E940	E932-N936 PolarHBondContact O-N 2.77Å; E932-N936 PolarHBondContact O-ND2 3.3Å; L933-N936 WeakPolarHBondContact O-CB 3.11Å; L933-N936 PolarHBondContact O-N 3.26Å; N936-T939 WeakPolarHBondContact CA-OG1 3.49Å; N936-T939 PolarHBondContact O-OG1 3.06Å; N936-E940 PolarHBondContact O-N 3.34Å
937	E	87.8	Confident	86.8	Confident	75 Å²	75	105.1 Å²	105.1	35%	0.35	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-41.5	174.7	-174.7	173.4	-166.4	0	0	111.5	L933 L934 E940 L941	L933-E937 PolarHBondContact O-N 3.34Å; L934-E937 PolarHBondContact O-N 3.49Å; E937-E940 PolarHBondContact O-N 2.89Å; E937-L941 HydrophobicContact CG-CD1 4.29Å; E937-L941 WeakPolarHBondContact O-CG 3.32Å; E937-L941 PolarHBondContact O-N 3.43Å
938	R	89	Confident	87	Confident	126 Å²	126	109.3 Å²	109.3	48%	0.475	50%	0.503	S	S	.	.	H	α-helix	trans	-58.3	-50.4	173.5	176.8	-173.4	162.6	-135.4	-10.1	111.6	L934 E935 E940 L941 E942	L934-R938 VanDerWaalsContact O-CB 3.27Å; L934-R938 WeakPolarHBondContact O-CB 3.21Å; L934-R938 PolarHBondContact O-N 3.21Å; E935-R938 WeakPolarHBondContact OE1-CD 3.14Å; E935-R938 IonicContact OE1-CZ 3.68Å; E935-R938 IonicContact OE1-NE 2.75Å; E935-R938 IonicContact OE1-NH1 3.31Å; E935-R938 PolarHBondContact OE1-NH1 2.83Å; R938-E940 VanDerWaalsContact C-N 3.29Å; R938-E940 PolarHBondContact O-N 3.23Å; R938-L941 WeakPolarHBondContact O-CB 3.26Å; R938-L941 PolarHBondContact O-N 3.4Å; R938-L941 VanDerWaalsContact O-N 3.11Å; R938-E942 HydrophobicContact CG-CG 4.46Å; R938-E942 IonicContact CZ-OE1 2.66Å; R938-E942 IonicContact NE-OE1 2.93Å; R938-E942 PolarHBondContact NE-OE1 3.31Å; R938-E942 IonicContact NH2-OE1 3.21Å; R938-E942 PolarHBondContact NH2-OE1 2.99Å; R938-E942 IonicContact NH2-OE2 2.66Å; R938-E942 WeakPolarHBondContact O-CG 3.38Å; R938-E942 PolarHBondContact O-N 3.11Å
939	T	88.2	Confident	87	Confident	67 Å²	67	111.3 Å²	111.3	41%	0.411	51%	0.505	S	S	.	.	H	α-helix	trans	-67.7	-29.5	-178.7	46.9	0	0	0	0	112.5	E935 N936 Y943	E935-T939 WeakPolarHBondContact O-CG2 3.36Å; E935-T939 PolarHBondContact O-N 3.37Å; E935-T939 PolarHBondContact O-OG1 2.88Å; N936-T939 WeakPolarHBondContact CA-OG1 3.49Å; N936-T939 PolarHBondContact O-OG1 3.06Å; T939-Y943 WeakPolarHBondContact O-CB 3.31Å; T939-Y943 PolarHBondContact O-N 2.78Å
940	E	89.9	Confident	86.8	Confident	100 Å²	100	109 Å²	109	47%	0.467	50%	0.496	S	S	.	.	H	α-helix	trans	-68.3	-40.2	169.1	-152.3	-154.7	145.7	0	0	112.1	N936 E937 R938 Y943 R944	N936-E940 PolarHBondContact O-N 3.34Å; E937-E940 PolarHBondContact O-N 2.89Å; R938-E940 VanDerWaalsContact C-N 3.29Å; R938-E940 PolarHBondContact O-N 3.23Å; E940-Y943 PolarHBondContact O-N 2.73Å; E940-R944 WeakPolarHBondContact O-CG 3.49Å; E940-R944 PolarHBondContact O-N 2.94Å; E940-R944 IonicContact OE1-CZ 3.68Å; E940-R944 VanDerWaalsContact OE1-CZ 3.22Å; E940-R944 IonicContact OE1-NE 3.78Å; E940-R944 PolarHBondContact OE1-NE 3.02Å; E940-R944 IonicContact OE1-NH2 3.73Å; E940-R944 PolarHBondContact OE1-NH2 3.32Å; E940-R944 IonicContact OE2-CZ 2.68Å; E940-R944 IonicContact OE2-NH2 2.74Å; E940-R944 PolarHBondContact OE2-NH2 3.49Å
941	L	85.5	Confident	86.9	Confident	89 Å²	89	108.8 Å²	108.8	47%	0.466	50%	0.498	S	S	.	.	H	α-helix	trans	-65.3	-42.3	175.8	-73.7	169.3	0	0	0	112.3	E937 R938 Y943 R944 Q945	E937-L941 HydrophobicContact CG-CD1 4.29Å; E937-L941 WeakPolarHBondContact O-CG 3.32Å; E937-L941 PolarHBondContact O-N 3.43Å; R938-L941 WeakPolarHBondContact O-CB 3.26Å; R938-L941 PolarHBondContact O-N 3.4Å; R938-L941 VanDerWaalsContact O-N 3.11Å; L941-Y943 VanDerWaalsContact C-N 3.33Å; L941-Y943 PolarHBondContact O-N 3.34Å; L941-R944 PolarHBondContact O-N 3.43Å; L941-Q945 WeakPolarHBondContact O-CB 3.41Å; L941-Q945 PolarHBondContact O-N 3.05Å
942	E	85.6	Confident	87	Confident	87 Å²	87	107.9 Å²	107.9	41%	0.407	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-40.2	174.1	-72.2	176.6	172.6	0	0	111.3	R938 Q945 H946	R938-E942 HydrophobicContact CG-CG 4.46Å; R938-E942 IonicContact CZ-OE1 2.66Å; R938-E942 IonicContact NE-OE1 2.93Å; R938-E942 PolarHBondContact NE-OE1 3.31Å; R938-E942 IonicContact NH2-OE1 3.21Å; R938-E942 PolarHBondContact NH2-OE1 2.99Å; R938-E942 IonicContact NH2-OE2 2.66Å; R938-E942 WeakPolarHBondContact O-CG 3.38Å; R938-E942 PolarHBondContact O-N 3.11Å; E942-Q945 PolarHBondContact O-N 2.77Å; E942-H946 PolarHBondContact O-N 2.9Å
943	Y	90.1	Very high	87	Confident	153 Å²	153	106.4 Å²	106.4	60%	0.6	49%	0.491	S	S	*	.	H	α-helix	trans	-63.1	-45.5	172.8	179.9	-95.3	0	0	0	112.4	T939 E940 L941 Q945 H946 Q947	T939-Y943 WeakPolarHBondContact O-CB 3.31Å; T939-Y943 PolarHBondContact O-N 2.78Å; E940-Y943 PolarHBondContact O-N 2.73Å; L941-Y943 VanDerWaalsContact C-N 3.33Å; L941-Y943 PolarHBondContact O-N 3.34Å; Y943-Q945 VanDerWaalsContact C-N 3.34Å; Y943-Q945 PolarHBondContact O-N 3.46Å; Y943-H946 PolarHBondContact O-N 2.79Å; Y943-Q947 HydrophobicContact CD1-CG 4.46Å; Y943-Q947 HydrophobicContact CE1-CG 4.03Å; Y943-Q947 WeakPolarHBondContact O-CG 3.4Å; Y943-Q947 PolarHBondContact O-N 2.95Å; Y943-Q947 VanDerWaalsContact O-N 3.09Å
944	R	87	Confident	86.8	Confident	110 Å²	110	104.5 Å²	104.5	42%	0.415	48%	0.484	S	S	.	.	H	α-helix	trans	-62.8	-39.6	175.2	-68.1	-176.5	-152.1	148.5	-0.3	111.6	E940 L941 Q947 Y948	E940-R944 WeakPolarHBondContact O-CG 3.49Å; E940-R944 PolarHBondContact O-N 2.94Å; E940-R944 IonicContact OE1-CZ 3.68Å; E940-R944 VanDerWaalsContact OE1-CZ 3.22Å; E940-R944 IonicContact OE1-NE 3.78Å; E940-R944 PolarHBondContact OE1-NE 3.02Å; E940-R944 IonicContact OE1-NH2 3.73Å; E940-R944 PolarHBondContact OE1-NH2 3.32Å; E940-R944 IonicContact OE2-CZ 2.68Å; E940-R944 IonicContact OE2-NH2 2.74Å; E940-R944 PolarHBondContact OE2-NH2 3.49Å; L941-R944 PolarHBondContact O-N 3.43Å; R944-Q947 PolarHBondContact O-N 3.24Å; R944-Y948 HydrophobicContact CB-CE2 4.43Å; R944-Y948 WeakPolarHBondContact O-CD2 3.36Å; R944-Y948 PolarHBondContact O-N 3.29Å
945	Q	86.5	Confident	86.9	Confident	111 Å²	111	104.1 Å²	104.1	52%	0.519	48%	0.481	S	S	.	.	H	α-helix	trans	-60.7	-48.3	175.8	178.6	176.4	-19.7	0	0	111.1	L941 E942 Y943 Q947 Y948 E949	L941-Q945 WeakPolarHBondContact O-CB 3.41Å; L941-Q945 PolarHBondContact O-N 3.05Å; E942-Q945 PolarHBondContact O-N 2.77Å; Y943-Q945 VanDerWaalsContact C-N 3.34Å; Y943-Q945 PolarHBondContact O-N 3.46Å; Q945-Q947 VanDerWaalsContact C-N 3.26Å; Q945-Q947 PolarHBondContact O-N 2.83Å; Q945-Y948 PolarHBondContact O-N 2.73Å; Q945-E949 HydrophobicContact CG-CG 4.41Å; Q945-E949 WeakPolarHBondContact CG-OE1 3.07Å; Q945-E949 PolarHBondContact NE2-OE1 3.34Å; Q945-E949 WeakPolarHBondContact O-CG 3.48Å; Q945-E949 PolarHBondContact O-N 3.11Å
946	H	87.4	Confident	86.7	Confident	115 Å²	115	103.9 Å²	103.9	53%	0.532	48%	0.48	S	S	.	.	H	α-helix	trans	-58.3	-39.5	176.3	-170.8	-64.7	0	0	0	111.8	E942 Y943 E949 E950	E942-H946 PolarHBondContact O-N 2.9Å; Y943-H946 PolarHBondContact O-N 2.79Å; H946-E949 PolarHBondContact O-N 3.48Å; H946-E950 IonicContact ND1-OE2 3.1Å; H946-E950 VanDerWaalsContact O-CB 3.28Å; H946-E950 WeakPolarHBondContact O-CB 3.3Å; H946-E950 PolarHBondContact O-N 3.33Å
947	Q	86.7	Confident	86.4	Confident	87 Å²	87	101.2 Å²	101.2	41%	0.407	47%	0.473	S	S	.	.	H	α-helix	trans	-64.6	-39.3	174.5	-71.3	-64.6	-76.4	0	0	112.8	Y943 R944 Q945 E950 L951	Y943-Q947 HydrophobicContact CD1-CG 4.46Å; Y943-Q947 HydrophobicContact CE1-CG 4.03Å; Y943-Q947 WeakPolarHBondContact O-CG 3.4Å; Y943-Q947 PolarHBondContact O-N 2.95Å; Y943-Q947 VanDerWaalsContact O-N 3.09Å; R944-Q947 PolarHBondContact O-N 3.24Å; Q945-Q947 VanDerWaalsContact C-N 3.26Å; Q945-Q947 PolarHBondContact O-N 2.83Å; Q947-E950 PolarHBondContact NE2-OE2 3.01Å; Q947-L951 WeakPolarHBondContact O-CB 3.45Å; Q947-L951 PolarHBondContact O-N 3.36Å
948	Y	85.8	Confident	86	Confident	168 Å²	168	102 Å²	102	66%	0.659	48%	0.476	S	S	*	.	H	α-helix	trans	-68.5	-37.1	173.8	-73.5	-59.3	0	0	0	112.9	R944 Q945 R952	R944-Y948 HydrophobicContact CB-CE2 4.43Å; R944-Y948 WeakPolarHBondContact O-CD2 3.36Å; R944-Y948 PolarHBondContact O-N 3.29Å; Q945-Y948 PolarHBondContact O-N 2.73Å; Y948-R952 WeakPolarHBondContact O-CB 3.33Å; Y948-R952 PolarHBondContact O-N 2.93Å
949	E	84.9	Confident	85.5	Confident	90 Å²	90	100.1 Å²	100.1	42%	0.421	48%	0.476	S	S	.	.	H	α-helix	trans	-68	-41.1	175.5	-72.8	-180	-162.4	0	0	111.8	Q945 H946 R952 N953	Q945-E949 HydrophobicContact CG-CG 4.41Å; Q945-E949 WeakPolarHBondContact CG-OE1 3.07Å; Q945-E949 PolarHBondContact NE2-OE1 3.34Å; Q945-E949 WeakPolarHBondContact O-CG 3.48Å; Q945-E949 PolarHBondContact O-N 3.11Å; H946-E949 PolarHBondContact O-N 3.48Å; E949-R952 PolarHBondContact O-N 3.02Å; E949-N953 VanDerWaalsContact O-CB 3.29Å; E949-N953 WeakPolarHBondContact O-CB 3.19Å; E949-N953 PolarHBondContact O-N 3.23Å; E949-N953 PolarHBondContact O-ND2 3.35Å; E949-N953 VanDerWaalsContact O-ND2 3.12Å
950	E	85.8	Confident	85	Confident	98 Å²	98	101 Å²	101	46%	0.458	48%	0.477	S	S	.	.	H	α-helix	trans	-64.4	-43.3	174.3	-173.7	170.4	-160.7	0	0	111.8	H946 Q947 N953 T954	H946-E950 IonicContact ND1-OE2 3.1Å; H946-E950 VanDerWaalsContact O-CB 3.28Å; H946-E950 WeakPolarHBondContact O-CB 3.3Å; H946-E950 PolarHBondContact O-N 3.33Å; Q947-E950 PolarHBondContact NE2-OE2 3.01Å; E950-N953 PolarHBondContact O-N 3.09Å; E950-T954 WeakPolarHBondContact O-CB 3.46Å; E950-T954 PolarHBondContact O-N 3.4Å; E950-T954 PolarHBondContact O-OG1 3.45Å
951	L	86.5	Confident	84.5	Confident	105 Å²	105	100.5 Å²	100.5	55%	0.55	48%	0.477	S	S	.	.	H	α-helix	trans	-62.2	-45.8	172.9	-168.9	91	0	0	0	111.2	Q947 N953 T954 L955	Q947-L951 WeakPolarHBondContact O-CB 3.45Å; Q947-L951 PolarHBondContact O-N 3.36Å; L951-N953 PolarHBondContact O-N 3.32Å; L951-T954 WeakPolarHBondContact O-CB 3.43Å; L951-T954 PolarHBondContact O-N 3.24Å; L951-L955 HydrophobicContact CD2-CD1 4.22Å; L951-L955 HydrophobicContact CG-CD1 4.23Å; L951-L955 WeakPolarHBondContact O-CG 3.32Å; L951-L955 PolarHBondContact O-N 3.16Å
952	R	86.3	Confident	84	Confident	154 Å²	154	101.3 Å²	101.3	58%	0.581	48%	0.475	S	S	*	.	H	α-helix	trans	-60.5	-45.6	177	179.4	-179.5	177.1	-84.7	2.5	111.2	Y948 E949 T954 L955 Q956	Y948-R952 WeakPolarHBondContact O-CB 3.33Å; Y948-R952 PolarHBondContact O-N 2.93Å; E949-R952 PolarHBondContact O-N 3.02Å; R952-T954 VanDerWaalsContact C-N 3.32Å; R952-T954 PolarHBondContact O-N 3.06Å; R952-L955 PolarHBondContact O-N 3.01Å; R952-Q956 VanDerWaalsContact O-CB 3.29Å; R952-Q956 WeakPolarHBondContact O-CB 3.16Å; R952-Q956 PolarHBondContact O-N 2.78Å
953	N	85.8	Confident	83.4	Confident	92 Å²	92	105.2 Å²	105.2	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-65.6	-36.4	178.2	-71.1	-27.1	0	0	0	111.6	E949 E950 L951 Q956 A957	E949-N953 VanDerWaalsContact O-CB 3.29Å; E949-N953 WeakPolarHBondContact O-CB 3.19Å; E949-N953 PolarHBondContact O-N 3.23Å; E949-N953 PolarHBondContact O-ND2 3.35Å; E949-N953 VanDerWaalsContact O-ND2 3.12Å; E950-N953 PolarHBondContact O-N 3.09Å; L951-N953 PolarHBondContact O-N 3.32Å; N953-Q956 PolarHBondContact O-N 3.32Å; N953-A957 WeakPolarHBondContact O-CB 3.43Å; N953-A957 PolarHBondContact O-N 2.82Å
954	T	85.8	Confident	82.7	Confident	70 Å²	70	107 Å²	107	43%	0.429	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-46.7	173.3	-59.7	0	0	0	0	111.7	E950 L951 R952 A957 Q958	E950-T954 WeakPolarHBondContact O-CB 3.46Å; E950-T954 PolarHBondContact O-N 3.4Å; E950-T954 PolarHBondContact O-OG1 3.45Å; L951-T954 WeakPolarHBondContact O-CB 3.43Å; L951-T954 PolarHBondContact O-N 3.24Å; R952-T954 VanDerWaalsContact C-N 3.32Å; R952-T954 PolarHBondContact O-N 3.06Å; T954-A957 WeakPolarHBondContact O-CB 3.5Å; T954-A957 PolarHBondContact O-N 3.04Å; T954-Q958 WeakPolarHBondContact O-CG 3.39Å; T954-Q958 PolarHBondContact O-N 2.78Å
955	L	84.9	Confident	82	Confident	90 Å²	90	108.2 Å²	108.2	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-63.6	-40.7	175	-72.8	168	0	0	0	111.8	L951 R952 A957 Q958 L959	L951-L955 HydrophobicContact CD2-CD1 4.22Å; L951-L955 HydrophobicContact CG-CD1 4.23Å; L951-L955 WeakPolarHBondContact O-CG 3.32Å; L951-L955 PolarHBondContact O-N 3.16Å; R952-L955 PolarHBondContact O-N 3.01Å; L955-A957 VanDerWaalsContact C-N 3.33Å; L955-A957 PolarHBondContact O-N 2.85Å; L955-Q958 PolarHBondContact O-N 2.86Å; L955-L959 WeakPolarHBondContact O-CB 3.24Å; L955-L959 PolarHBondContact O-N 3.06Å
956	Q	81.6	Confident	80.6	Confident	91 Å²	91	105.3 Å²	105.3	43%	0.425	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-40.1	174.8	-161	83.4	26.2	0	0	111.1	R952 N953 N960	R952-Q956 VanDerWaalsContact O-CB 3.29Å; R952-Q956 WeakPolarHBondContact O-CB 3.16Å; R952-Q956 PolarHBondContact O-N 2.78Å; N953-Q956 PolarHBondContact O-N 3.32Å; Q956-N960 WeakPolarHBondContact O-CB 3.49Å; Q956-N960 PolarHBondContact O-N 3.07Å; Q956-N960 PolarHBondContact O-ND2 2.86Å; Q956-N960 VanDerWaalsContact O-ND2 3.1Å
957	A	82.9	Confident	79.1	Confident	48 Å²	48	104.8 Å²	104.8	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-65.6	-43.5	175.1	0	0	0	0	0	111.9	N953 T954 L955 N960 I961	N953-A957 WeakPolarHBondContact O-CB 3.43Å; N953-A957 PolarHBondContact O-N 2.82Å; T954-A957 WeakPolarHBondContact O-CB 3.5Å; T954-A957 PolarHBondContact O-N 3.04Å; L955-A957 VanDerWaalsContact C-N 3.33Å; L955-A957 PolarHBondContact O-N 2.85Å; A957-N960 PolarHBondContact O-N 2.98Å; A957-I961 WeakPolarHBondContact O-CG1 3.29Å; A957-I961 PolarHBondContact O-N 3.42Å
958	Q	80.4	Confident	77.3	Confident	90 Å²	90	105.3 Å²	105.3	42%	0.421	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-47	173.7	-71.3	175.5	-0	0	0	111.7	T954 L955 N960 I961 Y962	T954-Q958 WeakPolarHBondContact O-CG 3.39Å; T954-Q958 PolarHBondContact O-N 2.78Å; L955-Q958 PolarHBondContact O-N 2.86Å; Q958-N960 VanDerWaalsContact C-N 3.3Å; Q958-N960 PolarHBondContact O-N 3.04Å; Q958-I961 WeakPolarHBondContact O-CA 3.36Å; Q958-I961 WeakPolarHBondContact O-CB 3.47Å; Q958-I961 PolarHBondContact O-N 3.37Å; Q958-Y962 HydrophobicContact CB-CE2 4.21Å; Q958-Y962 WeakPolarHBondContact O-CD2 3.41Å; Q958-Y962 PolarHBondContact O-N 3.4Å
959	L	77.2	Confident	75.7	Confident	88 Å²	88	103.1 Å²	103.1	46%	0.461	51%	0.514	S	S	.	.	H	α-helix	trans	-57	-42	173.6	-100.7	162.7	0	0	0	112.1	L955 I961 Y962 K963 L969	L955-L959 WeakPolarHBondContact O-CB 3.24Å; L955-L959 PolarHBondContact O-N 3.06Å; L959-I961 VanDerWaalsContact C-N 3.33Å; L959-I961 PolarHBondContact O-N 3.11Å; L959-Y962 PolarHBondContact O-N 3.3Å; L959-K963 WeakPolarHBondContact O-CB 3.48Å; L959-K963 PolarHBondContact O-N 3.24Å; L959-L969 HydrophobicContact CD2-CD1 4.01Å
960	N	78.1	Confident	74	Confident	84 Å²	84	103.6 Å²	103.6	45%	0.449	52%	0.523	S	S	.	.	H	α-helix	trans	-66.3	-32	175.3	-76.3	-34	0	0	0	112.8	Q956 A957 Q958 K964	Q956-N960 WeakPolarHBondContact O-CB 3.49Å; Q956-N960 PolarHBondContact O-N 3.07Å; Q956-N960 PolarHBondContact O-ND2 2.86Å; Q956-N960 VanDerWaalsContact O-ND2 3.1Å; A957-N960 PolarHBondContact O-N 2.98Å; Q958-N960 VanDerWaalsContact C-N 3.3Å; Q958-N960 PolarHBondContact O-N 3.04Å; N960-K964 WeakPolarHBondContact O-CB 3.42Å; N960-K964 WeakPolarHBondContact O-CG 3.35Å; N960-K964 PolarHBondContact O-N 2.8Å; N960-K964 VanDerWaalsContact O-N 3.08Å
961	I	79.8	Confident	71.9	Confident	90 Å²	90	104.7 Å²	104.7	46%	0.462	54%	0.538	S	S	.	.	H	α-helix	trans	-69.4	-49.9	172.5	-68.7	162.6	0	0	0	110.3	A957 Q958 L959 K963 K964 M965	A957-I961 WeakPolarHBondContact O-CG1 3.29Å; A957-I961 PolarHBondContact O-N 3.42Å; Q958-I961 WeakPolarHBondContact O-CA 3.36Å; Q958-I961 WeakPolarHBondContact O-CB 3.47Å; Q958-I961 PolarHBondContact O-N 3.37Å; L959-I961 VanDerWaalsContact C-N 3.33Å; L959-I961 PolarHBondContact O-N 3.11Å; I961-K963 VanDerWaalsContact C-N 3.31Å; I961-K963 PolarHBondContact O-N 3.07Å; I961-K964 CarbonylContact O-C 3.57Å; I961-K964 WeakPolarHBondContact O-CB 3.11Å; I961-K964 PolarHBondContact O-N 2.71Å; I961-K964 VanDerWaalsContact O-N 3.1Å; I961-M965 HydrophobicContact CG2-CE 3.89Å; I961-M965 HydrophobicContact CG2-SD 4.13Å; I961-M965 WeakPolarHBondContact O-CG 3.29Å; I961-M965 PolarHBondContact O-N 3.27Å
962	Y	74.4	Confident	69.8	Low	107 Å²	107	105.4 Å²	105.4	42%	0.42	55%	0.547	S	S	.	.	H	α-helix	trans	-60.9	-39.1	177.4	-67.4	-57.5	0	0	0	112.3	Q958 L959 K964 M965 G966 L967	Q958-Y962 HydrophobicContact CB-CE2 4.21Å; Q958-Y962 WeakPolarHBondContact O-CD2 3.41Å; Q958-Y962 PolarHBondContact O-N 3.4Å; L959-Y962 PolarHBondContact O-N 3.3Å; Y962-K964 PolarHBondContact O-N 3.19Å; Y962-M965 CarbonylContact O-C 3.51Å; Y962-M965 PolarHBondContact O-N 2.83Å; Y962-M965 VanDerWaalsContact O-N 3.12Å; Y962-G966 PolarHBondContact O-N 3.44Å; Y962-G966 VanDerWaalsContact O-N 3.16Å; Y962-L967 HydrophobicContact CD1-CD1 3.89Å; Y962-L967 PolarHBondContact O-N 2.94Å
963	K	73	Confident	67.3	Low	168 Å²	168	104.6 Å²	104.6	73%	0.73	55%	0.554	S	S	*	*	H	α-helix	trans	-64.6	-35.7	174.3	-166.7	171.3	-174.3	174.2	0	112.4	L959 I961 G966	L959-K963 WeakPolarHBondContact O-CB 3.48Å; L959-K963 PolarHBondContact O-N 3.24Å; I961-K963 VanDerWaalsContact C-N 3.31Å; I961-K963 PolarHBondContact O-N 3.07Å; K963-G966 PolarHBondContact O-N 3.21Å
964	K	76.2	Confident	65	Low	190 Å²	190	104.9 Å²	104.9	83%	0.826	56%	0.563	S	S	*	*	H	α-helix	trans	-70.8	-30.1	170.3	-79.2	179.8	177.9	-178.2	0	113.3	N960 I961 Y962 G966	N960-K964 WeakPolarHBondContact O-CB 3.42Å; N960-K964 WeakPolarHBondContact O-CG 3.35Å; N960-K964 PolarHBondContact O-N 2.8Å; N960-K964 VanDerWaalsContact O-N 3.08Å; I961-K964 CarbonylContact O-C 3.57Å; I961-K964 WeakPolarHBondContact O-CB 3.11Å; I961-K964 PolarHBondContact O-N 2.71Å; I961-K964 VanDerWaalsContact O-N 3.1Å; Y962-K964 PolarHBondContact O-N 3.19Å; K964-G966 PolarHBondContact O-N 3.19Å
965	M	72.5	Confident	62.9	Low	137 Å²	137	106.9 Å²	106.9	68%	0.675	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	2.8	173.9	-68	-179.1	174.4	0	0	113.6	I961 Y962 L967	I961-M965 HydrophobicContact CG2-CE 3.89Å; I961-M965 HydrophobicContact CG2-SD 4.13Å; I961-M965 WeakPolarHBondContact O-CG 3.29Å; I961-M965 PolarHBondContact O-N 3.27Å; Y962-M965 CarbonylContact O-C 3.51Å; Y962-M965 PolarHBondContact O-N 2.83Å; Y962-M965 VanDerWaalsContact O-N 3.12Å; M965-L967 VanDerWaalsContact C-N 3.29Å; M965-L967 PolarHBondContact O-N 3.41Å
966	G	57	Low	60.7	Low	49 Å²	49	110.1 Å²	110.1	51%	0.505	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	78.8	2.2	174.4	0	0	0	0	0	115.8	Y962 K963 K964 K968	Y962-G966 PolarHBondContact O-N 3.44Å; Y962-G966 VanDerWaalsContact O-N 3.16Å; K963-G966 PolarHBondContact O-N 3.21Å; K964-G966 PolarHBondContact O-N 3.19Å; G966-K968 PolarHBondContact O-N 2.9Å
967	L	55.3	Low	58.6	Low	104 Å²	104	111.9 Å²	111.9	55%	0.545	60%	0.6	S	S	.	*			trans	-71.5	109.1	179.8	-76.4	161.5	0	0	0	110.7	Y962 M965 L969	Y962-L967 HydrophobicContact CD1-CD1 3.89Å; Y962-L967 PolarHBondContact O-N 2.94Å; M965-L967 VanDerWaalsContact C-N 3.29Å; M965-L967 PolarHBondContact O-N 3.41Å; L967-L969 PolarHBondContact O-N 3.48Å
968	K	49.3	Very low	56.4	Low	99 Å²	99	117.5 Å²	117.5	43%	0.43	62%	0.618	S	S	.	*			trans	-80.6	95.1	174.8	-153	-164.4	-168.8	-159.9	0	108.7	Q42 D43 G966 T970	Q42-K968 PolarHBondContact O-NZ 2.93Å; D43-K968 WeakPolarHBondContact OD2-CE 3.44Å; D43-K968 IonicContact OD2-NZ 3.51Å; D43-K968 PolarHBondContact OD2-NZ 2.8Å; G966-K968 PolarHBondContact O-N 2.9Å; K968-T970 PolarHBondContact O-N 3.31Å
969	L	52.3	Low	54.4	Low	122 Å²	122	120.7 Å²	120.7	64%	0.639	63%	0.633	S	S	*	*			trans	-73.1	107.6	172.8	-71	169.1	0	0	0	109.6	L959 L967	L959-L969 HydrophobicContact CD2-CD1 4.01Å; L967-L969 PolarHBondContact O-N 3.48Å
970	T	48.7	Very low	52.4	Low	99 Å²	99	122.6 Å²	122.6	61%	0.607	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-75.6	141.2	170.3	47.4	0	0	0	0	110.6	K968 V972	K968-T970 PolarHBondContact O-N 3.31Å; T970-V972 PolarHBondContact O-N 2.69Å
971	P	42	Very low	50.4	Low	121 Å²	121	126.5 Å²	126.5	79%	0.786	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-59.5	133	171	-20.1	32.2	0	0	0	110.8
972	V	42.5	Very low	48.2	Very low	120 Å²	120	125.4 Å²	125.4	73%	0.727	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-83.9	126.1	174.5	179.2	0	0	0	0	108.8	T970 S974	T970-V972 PolarHBondContact O-N 2.69Å; V972-S974 PolarHBondContact O-N 3.15Å
973	N	32.7	Very low	46.3	Very low	137 Å²	137	128.1 Å²	128.1	73%	0.733	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-61.1	129.7	179.5	-74.5	-34.3	0	0	0	111	T975	N973-T975 PolarHBondContact O-N 3.43Å
974	S	38.7	Very low	44.3	Very low	99 Å²	99	125.5 Å²	125.5	69%	0.692	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-77.5	22.8	-162.2	-42	0	0	0	0	116.1	V972 E976	V972-S974 PolarHBondContact O-N 3.15Å; S974-E976 VanDerWaalsContact C-N 3.35Å; S974-E976 PolarHBondContact O-N 2.78Å
975	T	41.2	Very low	42.1	Very low	112 Å²	112	124.1 Å²	124.1	69%	0.687	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-67.6	-31.5	-172.6	-31.2	0	0	0	0	113.1	N973	N973-T975 PolarHBondContact O-N 3.43Å
976	E	38.5	Very low	40.2	Very low	157 Å²	157	122.3 Å²	122.3	73%	0.734	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-81.1	-13.7	-174.3	-64	179.2	134.2	0	0	114.1	S974 Q978	S974-E976 VanDerWaalsContact C-N 3.35Å; S974-E976 PolarHBondContact O-N 2.78Å; E976-Q978 VanDerWaalsContact C-N 3.32Å; E976-Q978 PolarHBondContact O-N 3.41Å
977	L	37.6	Very low	39.2	Very low	128 Å²	128	126.7 Å²	126.7	67%	0.67	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-78.4	-13.9	178.7	-90.7	168.5	0	0	0	113.9
978	Q	37.5	Very low	38.1	Very low	166 Å²	166	128.8 Å²	128.8	78%	0.776	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-20.1	-174.1	-160	157.2	51	0	0	113.5	E976	E976-Q978 VanDerWaalsContact C-N 3.32Å; E976-Q978 PolarHBondContact O-N 3.41Å
979	E	37.3	Very low	37.4	Very low	158 Å²	158	130.3 Å²	130.3	74%	0.738	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-30.3	179.2	-61.3	-165.1	136.5	0	0	113	Q981 G982	E979-Q981 VanDerWaalsContact C-N 3.28Å; E979-Q981 PolarHBondContact O-N 3.17Å; E979-G982 PolarHBondContact O-N 2.91Å
980	L	36	Very low	36.2	Very low	127 Å²	127	131.7 Å²	131.7	67%	0.665	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-71.6	-16.2	-178.9	-72.6	172.4	0	0	0	114.4	G982	L980-G982 VanDerWaalsContact C-N 3.33Å
981	Q	35.9	Very low	35.4	Very low	167 Å²	167	132.5 Å²	132.5	78%	0.78	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-84.5	-6.3	173.9	-67.1	-173.2	-15.6	0	0	113.3	E979	E979-Q981 VanDerWaalsContact C-N 3.28Å; E979-Q981 PolarHBondContact O-N 3.17Å
982	G	34.8	Very low	34.7	Very low	67 Å²	67	135.9 Å²	135.9	69%	0.691	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-85.2	-8.3	-176.7	0	0	0	0	0	116.4	E979 L980	E979-G982 PolarHBondContact O-N 2.91Å; L980-G982 VanDerWaalsContact C-N 3.33Å
983	Q	33.8	Very low	34.2	Very low	164 Å²	164	138.3 Å²	138.3	77%	0.766	77%	0.766	S	S	*	*	S	Bend	trans	-113.7	5.3	-162.7	-64.7	-171.8	-2.9	0	0	116.3
984	C	31.3	Very low	33.9	Very low	113 Å²	113	138.4 Å²	138.4	76%	0.764	77%	0.766	S	S	*	*	S	Bend	trans	-112.6	34.6	-173.8	-62.8	0	0	0	0	115
985	N	30.4	Very low	33.4	Very low	161 Å²	161	142.4 Å²	142.4	86%	0.861	77%	0.774	S	S	*	*			trans	-138.5	77.6	177.3	-78.9	-64.2	0	0	0	112.7
986	S	30.9	Very low	32.7	Very low	98 Å²	98	141.8 Å²	141.8	69%	0.685	78%	0.775	S	S	*	*			trans	-146.4	160.9	160.7	67.9	0	0	0	0	111.8
987	D	36.2	Very low	32.1	Very low	141 Å²	141	141.6 Å²	141.6	75%	0.754	78%	0.779	S	S	*	*			trans	74.7	81.1	158.3	-46.8	-46.1	0	0	0	119.4
988	D	32.4	Very low	31.6	Very low	149 Å²	149	140.7 Å²	140.7	80%	0.797	78%	0.783	S	S	*	*			trans	10.1	126.1	140.1	-71.8	-47.7	0	0	0	120.4
989	C	34.1	Very low	31.2	Very low	130 Å²	130	138.1 Å²	138.1	88%	0.878	78%	0.783	S	S	*	*				-166.3	154.9	110.4	-102	0	0	0	0	114.3
990	N	28.9	Very low	30.8	Very low	151 Å²	151	136.1 Å²	136.1	81%	0.807	78%	0.776	S	S	*	*			trans	-97	142.2	-177.6	-74.8	-92.5	0	0	0	112.6
991	S	32.1	Very low	30.5	Very low	116 Å²	116	138.2 Å²	138.2	81%	0.811	79%	0.786	S	S	*	*				-176.4	123.7	116.8	36.6	0	0	0	0	115.5
992	Q	27.2	Very low	30.1	Very low	192 Å²	192	135 Å²	135	90%	0.897	78%	0.778	S	S	*	*			trans	12.7	111.8	151.1	-58.2	179.5	6.2	0	0	120.1
993	L	30.7	Very low	29.9	Very low	171 Å²	171	138.7 Å²	138.7	90%	0.895	78%	0.782	S	S	*	*			trans	-144.8	140.8	141.9	-113.8	167.2	0	0	0	110
994	N	26.1	Very low	29.9	Very low	139 Å²	139	136 Å²	136	74%	0.743	78%	0.781	S	S	*	*			trans	-93.8	135.1	-178.8	-61.8	-82.3	0	0	0	110.5
995	Q	29.6	Very low	30	Very low	184 Å²	184	137.4 Å²	137.4	86%	0.86	78%	0.775	S	S	*	*				178.7	126.5	118.9	-96.3	153.2	105.2	0	0	114.6
996	S	26.2	Very low	30.3	Very low	99 Å²	99	135.2 Å²	135.2	69%	0.692	76%	0.763	S	S	*	*			trans	31.2	126.5	133.5	-46.5	0	0	0	0	122.8
997	N	25.7	Very low	30.7	Very low	153 Å²	153	137 Å²	137	82%	0.818	77%	0.765	S	S	*	*			trans	89.3	157.5	143.3	-58.4	-9.6	0	0	0	120.8
998	S	26.3	Very low	30.6	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	76%	0.764	S	S	*	*			trans	56	98.5	163.1	49.7	0	0	0	0	120.2
999	S	29.3	Very low	31	Very low	113 Å²	113	136.7 Å²	136.7	79%	0.79	75%	0.75	S	S	*	*			trans	-136.9	101.4	132.9	35.6	0	0	0	0	106.4
1000	I	29.4	Very low	31.1	Very low	115 Å²	115	136.9 Å²	136.9	59%	0.59	74%	0.742	S	S	*	*				69.4	95.9	84.7	-63.3	164.3	0	0	0	110.6	T1002	I1000-T1002 HydrophobicContact CG2-CG2 3.96Å
1001	I	30.2	Very low	31.7	Very low	171 Å²	171	137.9 Å²	137.9	88%	0.877	74%	0.742	S	S	*	*			trans	-106	104.4	158.5	-63.8	175.8	0	0	0	105.3
1002	T	27.9	Very low	31.8	Very low	99 Å²	99	139.5 Å²	139.5	61%	0.607	74%	0.741	S	S	*	*			trans	-79.7	176.5	165.2	44	0	0	0	0	110.6	I1000	I1000-T1002 HydrophobicContact CG2-CG2 3.96Å
1003	N	28.7	Very low	32	Very low	146 Å²	146	134.9 Å²	134.9	78%	0.781	73%	0.73	S	S	*	*			trans	83.6	142.1	-174.5	-44	-37.2	0	0	0	114.2
1004	S	35.2	Very low	32.1	Very low	106 Å²	106	130.1 Å²	130.1	74%	0.741	72%	0.722	S	S	*	*	S	Bend	trans	79.3	33.6	177.6	-165.5	0	0	0	0	117.9
1005	F	32.5	Very low	32.3	Very low	144 Å²	144	129 Å²	129	63%	0.632	73%	0.725	S	S	*	*	S	Bend	trans	-113.2	-37.7	166.4	-163.4	-113.6	0	0	0	113.6	D1007 Y1008 L1009	F1005-D1007 PolarHBondContact O-N 3.06Å; F1005-Y1008 PolarHBondContact O-N 3.19Å; F1005-L1009 HydrophobicContact CD1-CD1 4.13Å; F1005-L1009 HydrophobicContact CE1-CD1 3.64Å; F1005-L1009 HydrophobicContact CZ-CD1 4.23Å
1006	D	36.4	Very low	32.6	Very low	114 Å²	114	127.2 Å²	127.2	61%	0.61	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-73.7	-26	-169.1	-50	-78.6	0	0	0	114.7	Y1008 N1010	D1006-Y1008 PolarHBondContact O-N 3.28Å; D1006-N1010 PolarHBondContact O-ND2 3.25Å
1007	D	40.6	Very low	32.8	Very low	136 Å²	136	129.1 Å²	129.1	73%	0.727	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-66	-17.8	176.5	-67.9	-38.9	0	0	0	113.2	F1005	F1005-D1007 PolarHBondContact O-N 3.06Å
1008	Y	34.2	Very low	33.3	Very low	187 Å²	187	129 Å²	129	73%	0.733	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-100.4	-6	-174	-114.7	-89.3	0	0	0	115	F1005 D1006	F1005-Y1008 PolarHBondContact O-N 3.19Å; D1006-Y1008 PolarHBondContact O-N 3.28Å
1009	L	39.3	Very low	33.4	Very low	97 Å²	97	132.1 Å²	132.1	51%	0.508	73%	0.731	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.9	-15.2	-179.3	-76	171.3	0	0	0	114.1	F1005 S1013	F1005-L1009 HydrophobicContact CD1-CD1 4.13Å; F1005-L1009 HydrophobicContact CE1-CD1 3.64Å; F1005-L1009 HydrophobicContact CZ-CD1 4.23Å; L1009-S1013 PolarHBondContact O-OG 3.34Å
1010	N	37.7	Very low	33.6	Very low	133 Å²	133	132.5 Å²	132.5	71%	0.711	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-12.1	-179.6	-73.6	-62.1	0	0	0	114.5	D1006	D1006-N1010 PolarHBondContact O-ND2 3.25Å
1011	E	40.1	Very low	33.7	Very low	173 Å²	173	133.9 Å²	133.9	81%	0.808	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-3.1	176.4	-67.3	-162.7	140.5	0	0	114.3
1012	L	34.5	Very low	33.7	Very low	149 Å²	149	137.1 Å²	137.1	78%	0.78	74%	0.739	S	S	*	*	S	Bend	trans	-115.1	9	-170.8	-69.8	173	0	0	0	115
1013	S	32.4	Very low	33.8	Very low	96 Å²	96	137.9 Å²	137.9	67%	0.671	74%	0.743	S	S	*	*	S	Bend	trans	-137.4	46.9	-168.4	50.7	0	0	0	0	113.8	L1009	L1009-S1013 PolarHBondContact O-OG 3.34Å
1014	G	32.3	Very low	33.8	Very low	71 Å²	71	139.8 Å²	139.8	73%	0.732	75%	0.747	S	S	*	*			trans	-147.9	74.7	-173.6	0	0	0	0	0	116.3
1015	S	30.8	Very low	33.7	Very low	114 Å²	114	140.9 Å²	140.9	80%	0.797	76%	0.755	S	S	*	*			trans	-157.5	115	163.8	-80.8	0	0	0	0	112.7
1016	N	34.6	Very low	33.4	Very low	147 Å²	147	137.8 Å²	137.8	79%	0.786	76%	0.763	S	S	*	*			trans	-176.4	128.6	131.7	-93.4	-28.6	0	0	0	112.3
1017	N	32	Very low	33.2	Very low	140 Å²	140	135.9 Å²	135.9	75%	0.749	77%	0.771	S	S	*	*			trans	54.1	108.4	149.3	-53.1	-22.8	0	0	0	120.6
1018	T	34.5	Very low	32.8	Very low	150 Å²	150	136.7 Å²	136.7	92%	0.92	77%	0.774	S	S	*	*				-165.7	167.8	103.9	16.5	0	0	0	0	111.8
1019	E	29.6	Very low	32.8	Very low	173 Å²	173	134.8 Å²	134.8	81%	0.808	78%	0.776	S	S	*	*			trans	-90.9	145	-164.6	-56.4	159.8	105	0	0	113.8
1020	T	33.9	Very low	32.5	Very low	122 Å²	122	136.9 Å²	136.9	75%	0.748	79%	0.788	S	S	*	*				164	130.7	109.9	40.5	0	0	0	0	114.9
1021	N	30.1	Very low	32.3	Very low	144 Å²	144	138.1 Å²	138.1	77%	0.77	79%	0.787	S	S	*	*			trans	38.5	99.1	140.6	-63.5	-44.2	0	0	0	121.4
1022	R	31	Very low	32.1	Very low	238 Å²	238	135.4 Å²	135.4	90%	0.898	78%	0.782	S	S	*	*				171.9	123	101	-93.5	170.9	-179.2	-174.5	1.3	116.4
1023	V	30.4	Very low	32.1	Very low	115 Å²	115	136.5 Å²	136.5	70%	0.697	78%	0.781	S	S	*	*				54.9	109.4	127.3	-175	0	0	0	0	120.6
1024	H	29.1	Very low	32.2	Very low	186 Å²	186	136.5 Å²	136.5	86%	0.861	78%	0.779	S	S	*	*			trans	64.3	107.2	147.9	-59.3	-6.7	0	0	0	120.7
1025	S	32	Very low	32.2	Very low	130 Å²	130	139.8 Å²	139.8	91%	0.909	78%	0.776	S	S	*	*				-171.5	162.2	94.1	-164.3	0	0	0	0	110.4
1026	G	27	Very low	32.4	Very low	78 Å²	78	139.5 Å²	139.5	80%	0.804	76%	0.763	S	S	*	*			trans	-99.5	143.3	-171.3	0	0	0	0	0	115.2
1027	G	30.7	Very low	32.3	Very low	74 Å²	74	140.7 Å²	140.7	76%	0.763	76%	0.761	S	S	*	*			trans	-166.4	106.4	169.1	0	0	0	0	0	111
1028	I	33.2	Very low	32.2	Very low	154 Å²	154	143.6 Å²	143.6	79%	0.79	76%	0.763	S	S	*	*			trans	-98.2	116.9	-179	-61.2	174.1	0	0	0	109
1029	N	33.7	Very low	32	Very low	147 Å²	147	141.3 Å²	141.3	79%	0.786	75%	0.753	S	S	*	*			trans	-119	86	173.7	-86.3	-24.5	0	0	0	110.1
1030	D	33	Very low	32	Very low	140 Å²	140	140.9 Å²	140.9	75%	0.749	76%	0.756	S	S	*	*			trans	-91.5	97.9	177.4	-121.9	-25.3	0	0	0	110.3
1031	F	33.1	Very low	32	Very low	159 Å²	159	140 Å²	140	70%	0.697	76%	0.756	S	S	*	*			trans	-113.7	76.6	-178.9	-94.3	-68.5	0	0	0	113.2
1032	T	36.1	Very low	32	Very low	116 Å²	116	141.1 Å²	141.1	71%	0.712	76%	0.761	S	S	*	*			trans	-93.5	107.7	164.6	34.3	0	0	0	0	110.3
1033	K	34.7	Very low	32.3	Very low	173 Å²	173	137.2 Å²	137.2	75%	0.752	76%	0.758	S	S	*	*			trans	-98.9	123.1	-175.1	-71.4	171.5	-179.4	161.3	0	112
1034	P	34	Very low	32.3	Very low	96 Å²	96	138.4 Å²	138.4	62%	0.623	76%	0.76	S	S	*	*			trans	-69.9	133.3	168.2	-17.1	31.2	0	0	0	111.8	H1036	P1034-H1036 PolarHBondContact O-N 3.28Å
1035	M	33.2	Very low	32.5	Very low	139 Å²	139	136.5 Å²	136.5	69%	0.685	76%	0.762	S	S	*	*			trans	-81.9	92.5	174	-91.7	-158.9	71.1	0	0	112.2	F1037	M1035-F1037 HydrophobicContact CE-CD2 4.11Å; M1035-F1037 HydrophobicContact CE-CE1 4.1Å; M1035-F1037 HydrophobicContact CE-CE2 3.58Å; M1035-F1037 HydrophobicContact CE-CZ 3.57Å; M1035-F1037 PolarHBondContact O-N 2.99Å; M1035-F1037 HydrophobicContact SD-CE2 4.45Å
1036	H	34.1	Very low	32.5	Very low	109 Å²	109	134.1 Å²	134.1	51%	0.505	76%	0.757	S	S	.	*			trans	-77.8	107.5	162.1	-74.1	-87.9	0	0	0	110.7	P1034 Y1038	P1034-H1036 PolarHBondContact O-N 3.28Å; H1036-Y1038 PolarHBondContact O-N 3.47Å
1037	F	32.2	Very low	32.6	Very low	172 Å²	172	135.8 Å²	135.8	75%	0.754	76%	0.757	S	S	*	*			trans	-73.4	115.6	171.6	-87.6	-89.7	0	0	0	111.4	M1035	M1035-F1037 HydrophobicContact CE-CD2 4.11Å; M1035-F1037 HydrophobicContact CE-CE1 4.1Å; M1035-F1037 HydrophobicContact CE-CE2 3.58Å; M1035-F1037 HydrophobicContact CE-CZ 3.57Å; M1035-F1037 PolarHBondContact O-N 2.99Å; M1035-F1037 HydrophobicContact SD-CE2 4.45Å
1038	Y	31.7	Very low	32.6	Very low	200 Å²	200	143.9 Å²	143.9	78%	0.784	76%	0.764	S	S	*	*			trans	-103.5	103.8	157.8	-87.3	-75.9	0	0	0	109.3	H1036 N1040	H1036-Y1038 PolarHBondContact O-N 3.47Å; Y1038-N1040 PolarHBondContact O-N 3.21Å; Y1038-N1040 VanDerWaalsContact O-N 3.09Å
1039	S	30.1	Very low	32.4	Very low	103 Å²	103	147.5 Å²	147.5	72%	0.72	77%	0.768	S	S	*	*			trans	-81.8	84.5	-178.2	-176.8	0	0	0	0	112.1
1040	N	28.7	Very low	32.4	Very low	163 Å²	163	147.6 Å²	147.6	87%	0.872	77%	0.774	S	S	*	*			trans	-98.8	108.7	161	-84.1	-25	0	0	0	109.5	Y1038	Y1038-N1040 PolarHBondContact O-N 3.21Å; Y1038-N1040 VanDerWaalsContact O-N 3.09Å
1041	S	33.9	Very low	32.3	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	78%	0.775	S	S	*	*			trans	-133.4	86.4	169.5	58.2	0	0	0	0	109.1
1042	D	30.9	Very low	32	Very low	166 Å²	166	145.2 Å²	145.2	89%	0.888	78%	0.778	S	S	*	*			trans	-71.7	135.2	154.1	-94.1	-38.1	0	0	0	107.2
1043	D	37	Very low	31.9	Very low	156 Å²	156	150.5 Å²	150.5	83%	0.834	79%	0.787	S	S	*	*			trans	-145.1	150.2	151.8	-147	-16.7	0	0	0	110.3
1044	L	30.5	Very low	31.7	Very low	141 Å²	141	150.8 Å²	150.8	74%	0.738	79%	0.79	S	S	*	*			trans	-109.3	133.5	-174.2	-63.8	166.8	0	0	0	108.2
1045	T	32.4	Very low	31.6	Very low	146 Å²	146	151.8 Å²	151.8	90%	0.896	80%	0.799	S	S	*	*				175.3	-179.1	86.1	40.4	0	0	0	0	108.6
1046	G	32.2	Very low	31.4	Very low	79 Å²	79	150.6 Å²	150.6	81%	0.814	80%	0.8	S	S	*	*			trans	120	74.4	167.6	0	0	0	0	0	114.9
1047	S	28.9	Very low	31.3	Very low	114 Å²	114	152 Å²	152	80%	0.797	81%	0.811	S	S	*	*			trans	-89.5	123.6	177.3	178.8	0	0	0	0	112.4
1048	R	31.1	Very low	31.3	Very low	244 Å²	244	149.5 Å²	149.5	92%	0.921	81%	0.805	S	S	*	*			trans	-159.6	115.6	141.6	-112.5	166.1	-161.8	-123.5	4	114.9
1049	R	28.2	Very low	31.2	Very low	229 Å²	229	148.2 Å²	148.2	86%	0.864	80%	0.804	S	S	*	*			trans	-9.6	134.9	160.2	-54.9	172.7	-178.9	176.9	-1.2	118.6
1050	T	33.7	Very low	31.4	Very low	149 Å²	149	151.6 Å²	151.6	91%	0.914	81%	0.808	S	S	*	*			trans	-129.8	155.8	130.7	46.6	0	0	0	0	109.4
1051	T	31.7	Very low	31.4	Very low	125 Å²	125	146.7 Å²	146.7	77%	0.767	80%	0.796	S	S	*	*			trans	-114.8	139.7	-171.2	43.5	0	0	0	0	112.5
1052	T	27.8	Very low	31.4	Very low	124 Å²	124	152 Å²	152	76%	0.761	80%	0.802	S	S	*	*			trans	-68.2	150.5	169	42.7	0	0	0	0	113
1053	Y	32.7	Very low	31.2	Very low	228 Å²	228	150.9 Å²	150.9	89%	0.894	80%	0.795	S	S	*	*			trans	-137.3	149.5	150.1	-102.1	-81.7	0	0	0	110.4
1054	H	30.4	Very low	31.1	Very low	178 Å²	178	154.1 Å²	154.1	82%	0.824	80%	0.797	S	S	*	*			trans	-97.4	158.5	-179.7	-65	-102.1	0	0	0	111.7
1055	S	31.9	Very low	31.1	Very low	117 Å²	117	152.4 Å²	152.4	82%	0.818	80%	0.797	S	S	*	*				-160.8	154.7	113.8	-157.7	0	0	0	0	111.6
1056	T	28.5	Very low	31.7	Very low	114 Å²	114	150.3 Å²	150.3	70%	0.699	79%	0.785	S	S	*	*			trans	-110	173.5	163.6	52.3	0	0	0	0	110.2
1057	D	32.8	Very low	31.8	Very low	138 Å²	138	153.9 Å²	153.9	74%	0.738	79%	0.786	S	S	*	*			trans	124.5	147	162.6	-70.7	7.3	0	0	0	113.1
1058	L	33.2	Very low	32.1	Very low	120 Å²	120	152.2 Å²	152.2	63%	0.628	78%	0.779	S	S	*	*			cis	-164.9	133.2	-8.7	-109.9	167.1	0	0	0	110.9
1059	K	29.6	Very low	32.4	Very low	174 Å²	174	147.3 Å²	147.3	76%	0.757	77%	0.771	S	S	*	*			trans	61.7	172	158.1	-64	167.1	-178.7	169.5	0	116.9
1060	Q	33.4	Very low	32.8	Very low	174 Å²	174	143.5 Å²	143.5	81%	0.813	77%	0.767	S	S	*	*			cis	-146.1	-171.3	6.6	-147.9	144.8	-63	0	0	112.4
1061	G	28.7	Very low	32.9	Very low	60 Å²	60	143.2 Å²	143.2	62%	0.619	76%	0.76	S	S	*	*			trans	-69.4	-179.3	-176.8	0	0	0	0	0	116.2
1062	Y	33.5	Very low	33.1	Very low	217 Å²	217	142.4 Å²	142.4	85%	0.851	76%	0.756	S	S	*	*			cis	-139.7	151.5	35	-64.5	-97.7	0	0	0	110.7
1063	L	27.7	Very low	33	Very low	141 Å²	141	145.3 Å²	145.3	74%	0.738	76%	0.758	S	S	*	*			cis	88.1	95.3	44.1	-150.9	-178.9	0	0	0	114.4
1064	Y	34	Very low	33.5	Very low	224 Å²	224	140.8 Å²	140.8	88%	0.878	76%	0.757	S	S	*	*			trans	-166.7	165.6	138.5	-112.3	-76.3	0	0	0	111.6
1065	S	31.2	Very low	33.4	Very low	106 Å²	106	136.9 Å²	136.9	74%	0.741	75%	0.749	S	S	*	*			trans	-168.8	-176.5	-167.9	-131.8	0	0	0	0	109.5
1066	P	43.7	Very low	33.3	Very low	101 Å²	101	139.6 Å²	139.6	66%	0.656	75%	0.754	S	S	*	*			cis	-132	-166.5	-15.4	38.3	-18	0	0	0	113.2
1067	D	36	Very low	33.4	Very low	154 Å²	154	138.9 Å²	138.9	82%	0.824	76%	0.759	S	S	*	*			trans	143.4	148.6	144.6	-78.1	-11.5	0	0	0	111.8
1068	A	34.3	Very low	33.5	Very low	80 Å²	80	137.8 Å²	137.8	66%	0.661	76%	0.76	S	S	*	*			cis	-164.4	173.4	-27.3	0	0	0	0	0	108.6
1069	D	37.4	Very low	33.3	Very low	140 Å²	140	138 Å²	138	75%	0.749	77%	0.772	S	S	*	*			trans	71.9	97.8	175.9	-60.3	-10.7	0	0	0	118.1
1070	I	37.6	Very low	33.5	Very low	150 Å²	150	133.9 Å²	133.9	77%	0.769	78%	0.779	S	S	*	*				76	127.9	75.3	-69.1	167	0	0	0	112
1071	N	34.1	Very low	33.4	Very low	143 Å²	143	131 Å²	131	77%	0.765	78%	0.778	S	S	*	*			cis	163.7	173.7	-13	-126.9	-22.3	0	0	0	104.7
1072	P	35.9	Very low	33.8	Very low	108 Å²	108	135.2 Å²	135.2	70%	0.701	79%	0.792	S	S	*	*			cis	-130.5	163.1	-18.4	38.5	-22.6	0	0	0	114.7
1073	K	26.1	Very low	33.7	Very low	185 Å²	185	134.4 Å²	134.4	80%	0.804	79%	0.787	S	S	*	*			trans	-95.3	148	152	-81.3	179.8	176	174.8	0	109.5
1074	P	42.9	Very low	34.1	Very low	133 Å²	133	133.3 Å²	133.3	86%	0.864	79%	0.791	S	S	*	*			trans	-79.1	125.5	157.7	31.8	-29.9	0	0	0	110
1075	S	28.3	Very low	34.1	Very low	95 Å²	95	127 Å²	127	66%	0.664	77%	0.773	S	S	*	*			trans	-148.9	146.4	172.2	61.6	0	0	0	0	111.6
1076	L	30.3	Very low	34.2	Very low	174 Å²	174	130.8 Å²	130.8	91%	0.911	78%	0.778	S	S	*	*			trans	61.1	117.7	161.3	-62.9	162.2	0	0	0	118.9
1077	A	31.7	Very low	33.8	Very low	99 Å²	99	132.9 Å²	132.9	82%	0.818	79%	0.789	S	S	*	*			trans	-148.5	152.5	151.7	0	0	0	0	0	109.3
1078	P	33.4	Very low	33.5	Very low	116 Å²	116	129.8 Å²	129.8	75%	0.753	78%	0.777	S	S	*	*			trans	-132.4	173.9	-135.9	42.2	-27.7	0	0	0	117.7
1079	S	30	Very low	33.6	Very low	125 Å²	125	134 Å²	134	87%	0.874	79%	0.787	S	S	*	*			trans	36.9	124.4	143.6	-57.7	0	0	0	0	121.6
1080	G	34.4	Very low	33.7	Very low	87 Å²	87	134.3 Å²	134.3	90%	0.897	78%	0.783	S	S	*	*			trans	-158.4	105.5	162.2	0	0	0	0	0	112.9
1081	S	30.5	Very low	33.6	Very low	113 Å²	113	134.3 Å²	134.3	79%	0.79	78%	0.784	S	S	*	*			trans	-110.4	134.6	179.4	176.4	0	0	0	0	111.5
1082	T	37.1	Very low	33.5	Very low	149 Å²	149	139.5 Å²	139.5	91%	0.914	79%	0.793	S	S	*	*			trans	-142	156.1	154.5	40	0	0	0	0	110.3
1083	R	30.7	Very low	33.4	Very low	200 Å²	200	138 Å²	138	76%	0.755	80%	0.798	S	S	*	*			trans	-137.5	147.3	-163.6	157.5	-175.6	162	-150.6	-10.1	109.8	D1085	R1083-D1085 IonicContact CZ-OD1 2.71Å; R1083-D1085 IonicContact CZ-OD2 3.52Å; R1083-D1085 VanDerWaalsContact CZ-OD2 3.31Å; R1083-D1085 IonicContact NE-OD1 2.65Å; R1083-D1085 PolarHBondContact NE-OD1 3.19Å; R1083-D1085 IonicContact NE-OD2 2.78Å; R1083-D1085 PolarHBondContact NE-OD2 2.75Å; R1083-D1085 VanDerWaalsContact NE-OD2 3.15Å; R1083-D1085 IonicContact NH2-OD1 2.72Å; R1083-D1085 PolarHBondContact NH2-OD1 2.82Å; R1083-D1085 IonicContact NH2-OD2 3.43Å; R1083-D1085 PolarHBondContact NH2-OD2 2.91Å
1084	S	37	Very low	33.7	Very low	118 Å²	118	135 Å²	135	83%	0.825	80%	0.8	S	S	*	*			trans	-143.5	132.2	161.5	59.4	0	0	0	0	109.8
1085	D	32.9	Very low	33.1	Very low	92 Å²	92	136.3 Å²	136.3	49%	0.492	80%	0.799	S	S	.	*			trans	-95.7	159.6	-170.5	-57	-51.8	0	0	0	113.6	R1083	R1083-D1085 IonicContact CZ-OD1 2.71Å; R1083-D1085 IonicContact CZ-OD2 3.52Å; R1083-D1085 VanDerWaalsContact CZ-OD2 3.31Å; R1083-D1085 IonicContact NE-OD1 2.65Å; R1083-D1085 PolarHBondContact NE-OD1 3.19Å; R1083-D1085 IonicContact NE-OD2 2.78Å; R1083-D1085 PolarHBondContact NE-OD2 2.75Å; R1083-D1085 VanDerWaalsContact NE-OD2 3.15Å; R1083-D1085 IonicContact NH2-OD1 2.72Å; R1083-D1085 PolarHBondContact NH2-OD1 2.82Å; R1083-D1085 IonicContact NH2-OD2 3.43Å; R1083-D1085 PolarHBondContact NH2-OD2 2.91Å
1086	H	33.7	Very low	33.3	Very low	185 Å²	185	137 Å²	137	86%	0.856	80%	0.799	S	S	*	*			trans	146.8	105.4	131.7	-79.1	-62.5	0	0	0	114
1087	V	34.9	Very low	33.5	Very low	145 Å²	145	135.9 Å²	135.9	88%	0.879	79%	0.794	S	S	*	*			trans	-140.6	138.9	157.7	-179.4	0	0	0	0	107.5
1088	P	31.1	Very low	33.5	Very low	89 Å²	89	138 Å²	138	58%	0.578	79%	0.786	S	S	*	*			trans	-103	129.8	-146.3	36	-35	0	0	0	118	H1090	P1088-H1090 VanDerWaalsContact C-N 3.31Å; P1088-H1090 PolarHBondContact O-N 3.04Å; P1088-H1090 PolarHBondContact O-ND1 3.16Å
1089	I	35.4	Very low	33.6	Very low	168 Å²	168	138.3 Å²	138.3	86%	0.862	78%	0.782	S	S	*	*	S	Bend	trans	52.7	-37.2	136.1	-68.6	175.1	0	0	0	121.5	L1091	I1089-L1091 PolarHBondContact O-N 2.79Å
1090	H	40.6	Very low	33.7	Very low	147 Å²	147	138 Å²	138	68%	0.681	77%	0.771	S	S	*	*			trans	-76.3	19.6	-165.1	70.6	-78.8	0	0	0	116.5	P1088	P1088-H1090 VanDerWaalsContact C-N 3.31Å; P1088-H1090 PolarHBondContact O-N 3.04Å; P1088-H1090 PolarHBondContact O-ND1 3.16Å
1091	L	35.5	Very low	33.7	Very low	150 Å²	150	140.9 Å²	140.9	79%	0.785	76%	0.762	S	S	*	*			trans	-131.8	50.7	-172.1	-64.9	174.5	0	0	0	112.9	I1089	I1089-L1091 PolarHBondContact O-N 2.79Å
1092	R	32	Very low	33.7	Very low	251 Å²	251	146.7 Å²	146.7	95%	0.947	77%	0.767	S	S	*	*			trans	-139.1	134.9	171.4	-91.9	-170.4	169.1	-164.6	-2.5	112.5
1093	G	33.3	Very low	33.4	Very low	78 Å²	78	143.2 Å²	143.2	80%	0.804	76%	0.761	S	S	*	*			trans	118.7	138.4	176.1	0	0	0	0	0	112.4
1094	S	32.9	Very low	33.4	Very low	122 Å²	122	142.6 Å²	142.6	85%	0.853	77%	0.766	S	S	*	*			cis	-151.2	175.8	-9.1	-160.9	0	0	0	0	111.3
1095	L	28.9	Very low	33.5	Very low	159 Å²	159	141 Å²	141	83%	0.832	75%	0.754	S	S	*	*			trans	-125.6	179	-177.2	-93	166.9	0	0	0	111.6
1096	V	32.5	Very low	33.4	Very low	111 Å²	111	143.2 Å²	143.2	67%	0.673	77%	0.765	S	S	*	*			trans	85.7	105.1	156.4	-165	0	0	0	0	118.4
1097	N	34.4	Very low	33.4	Very low	150 Å²	150	139.8 Å²	139.8	80%	0.802	76%	0.762	S	S	*	*				177.7	174.1	116.4	-99.2	-36.7	0	0	0	111.6
1098	Q	33.2	Very low	33.8	Very low	142 Å²	142	138.7 Å²	138.7	66%	0.664	76%	0.758	S	S	*	*				-159.9	168.5	-87.3	-142.9	-173.3	36.2	0	0	108.2
1099	N	35.1	Very low	33.8	Very low	123 Å²	123	145.7 Å²	145.7	66%	0.658	77%	0.773	S	S	*	*			trans	71	147.2	153.7	-64.6	-19.5	0	0	0	119.2
1100	N	33	Very low	33.6	Very low	119 Å²	119	142 Å²	142	64%	0.636	76%	0.762	S	S	*	*			cis	-166.1	166.3	-20.8	-147.3	-17.2	0	0	0	111.8
1101	M	34.1	Very low	33.2	Very low	147 Å²	147	139.2 Å²	139.2	72%	0.724	76%	0.759	S	S	*	*			trans	62.1	163.6	158	-62.7	-58.7	-178.9	0	0	119.4
1102	R	28.9	Very low	33.2	Very low	235 Å²	235	138.1 Å²	138.1	89%	0.887	75%	0.754	S	S	*	*			cis	-176.4	134.1	-31.4	-177.1	-174.8	-162	-160.8	5.8	108.7
1103	G	32.5	Very low	33.3	Very low	76 Å²	76	133 Å²	133	78%	0.784	74%	0.744	S	S	*	*			trans	160.1	142.8	169.5	0	0	0	0	0	117.3
1104	Q	30.6	Very low	33.4	Very low	187 Å²	187	136 Å²	136	87%	0.874	74%	0.741	S	S	*	*			trans	-163.1	-177.7	179.5	-124.1	-162	2.9	0	0	107
1105	P	38.9	Very low	33.4	Very low	86 Å²	86	134.1 Å²	134.1	56%	0.558	73%	0.728	S	S	*	*			cis	-135.8	-155.3	-24.6	29.3	-4.2	0	0	0	112.6
1106	N	30.8	Very low	33.6	Very low	138 Å²	138	133.1 Å²	133.1	74%	0.738	72%	0.723	S	S	*	*			trans	99.4	110.3	143.6	-69.5	-10	0	0	0	124.3
1107	S	31.9	Very low	33.6	Very low	113 Å²	113	132.9 Å²	132.9	79%	0.79	72%	0.718	S	S	*	*				86.9	157.8	119.2	-68.2	0	0	0	0	123.9
1108	P	43.9	Very low	33.5	Very low	121 Å²	121	131.6 Å²	131.6	79%	0.786	71%	0.711	S	S	*	*			trans	-130.9	-172.5	-156.9	44.4	-27.7	0	0	0	115.4
1109	R	31	Very low	33.4	Very low	236 Å²	236	134.8 Å²	134.8	89%	0.891	72%	0.717	S	S	*	*			trans	-162.9	147.1	154.4	-122.4	-177.6	170.7	160.4	-1.5	116.1
1110	S	32.1	Very low	33.2	Very low	91 Å²	91	133.4 Å²	133.4	64%	0.636	72%	0.717	S	S	*	*			trans	47.5	115.8	130.4	-79.2	0	0	0	0	120.8
1111	S	32.1	Very low	33	Very low	88 Å²	88	134.9 Å²	134.9	62%	0.615	73%	0.725	S	S	*	*				98.3	151.5	72.9	68.2	0	0	0	0	110.7
1112	D	35.7	Very low	32.8	Very low	127 Å²	127	131.9 Å²	131.9	68%	0.679	72%	0.719	S	S	*	*			cis	-165.8	164.8	44.9	-92.1	-63.5	0	0	0	113.1
1113	I	33	Very low	32.9	Very low	144 Å²	144	128.1 Å²	128.1	74%	0.738	72%	0.716	S	S	*	*			trans	55.5	136	133.2	-67.1	171.7	0	0	0	120.1
1114	L	35.4	Very low	32.7	Very low	142 Å²	142	133.2 Å²	133.2	74%	0.743	72%	0.72	S	S	*	*			cis	-160.9	174.9	-1.4	-117.5	-179.2	0	0	0	112.4
1115	S	33.5	Very low	32.7	Very low	82 Å²	82	131.3 Å²	131.3	57%	0.573	72%	0.721	S	S	*	*			trans	-11.8	164.2	150.6	67.5	0	0	0	0	120.5
1116	D	33.2	Very low	32.2	Very low	137 Å²	137	132.2 Å²	132.2	73%	0.733	73%	0.729	S	S	*	*			cis	-172.1	173.7	10.6	-125.1	22.1	0	0	0	108.5
1117	N	31.9	Very low	32.1	Very low	107 Å²	107	133.3 Å²	133.3	57%	0.572	73%	0.733	S	S	*	*			cis	-166	177.7	-16.4	-148.6	-37.5	0	0	0	109.2
1118	N	32.6	Very low	32	Very low	122 Å²	122	132.1 Å²	132.1	65%	0.652	73%	0.725	S	S	*	*			trans	65.2	157.9	151	-72.7	-45.1	0	0	0	119.9
1119	R	30.3	Very low	31.4	Very low	209 Å²	209	131 Å²	131	79%	0.789	72%	0.72	S	S	*	*			cis	-175	143.1	-34.2	-157	-179.2	-167.4	179.9	3.2	109.4
1120	S	31.4	Very low	31.5	Very low	94 Å²	94	127.8 Å²	127.8	66%	0.657	72%	0.719	S	S	*	*			trans	61.9	161.9	159.1	35	0	0	0	0	117.3
1121	N	28.7	Very low	31.5	Very low	151 Å²	151	126.4 Å²	126.4	81%	0.807	72%	0.719	S	S	*	*			cis	-150.1	173.6	-7.7	-122.7	13.6	0	0	0	112.7
1122	S	31.1	Very low	31.6	Very low	84 Å²	84	132.3 Å²	132.3	59%	0.587	73%	0.734	S	S	*	*			trans	-42.1	153	170.8	56.1	0	0	0	0	119
1123	N	30.5	Very low	31.6	Very low	155 Å²	155	131.8 Å²	131.8	83%	0.829	74%	0.74	S	S	*	*				-178.8	162.8	107.6	-89.8	-4	0	0	0	114.3
1124	E	29	Very low	31.6	Very low	184 Å²	184	132 Å²	132	86%	0.86	74%	0.741	S	S	*	*			trans	-97.9	153.4	174.1	-51.6	166.5	124.8	0	0	111.4
1125	T	29.9	Very low	31.5	Very low	146 Å²	146	131.4 Å²	131.4	90%	0.896	75%	0.745	S	S	*	*			trans	-164	172.9	143.6	-7.1	0	0	0	0	112.4
1126	S	28.5	Very low	31.3	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	76%	0.755	S	S	*	*			trans	-120.4	-158.8	-164.3	-44.9	0	0	0	0	113.4
1127	I	29.3	Very low	31.4	Very low	160 Å²	160	133.9 Å²	133.9	82%	0.821	76%	0.762	S	S	*	*			trans	83.2	137.1	163.4	-59.6	157.2	0	0	0	115
1128	S	29.9	Very low	31.3	Very low	89 Å²	89	134.2 Å²	134.2	62%	0.622	77%	0.773	S	S	*	*			cis	-173.3	150.5	-16.4	57.8	0	0	0	0	115.9
1129	S	29.7	Very low	31.2	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	78%	0.779	S	S	*	*			trans	73.8	164.9	134.7	74.4	0	0	0	0	124.8
1130	I	34.4	Very low	31.2	Very low	169 Å²	169	128.7 Å²	128.7	87%	0.867	78%	0.776	S	S	*	*			trans	82.6	132.7	171.3	-49.8	166.7	0	0	0	115.7
1131	G	31.6	Very low	31	Very low	62 Å²	62	129.3 Å²	129.3	64%	0.639	78%	0.78	S	S	*	*			cis	149.3	135.6	-16.6	0	0	0	0	0	116.3
1132	K	35.2	Very low	31	Very low	212 Å²	212	130 Å²	130	92%	0.922	78%	0.783	S	S	*	*			trans	77.4	152.7	171.8	-54.2	175	-175.9	176.6	0	116
1133	S	34.3	Very low	30.8	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	80%	0.795	S	S	*	*			cis	-162.8	162	-7.3	34.7	0	0	0	0	112.3
1134	I	32.4	Very low	30.8	Very low	149 Å²	149	137.5 Å²	137.5	76%	0.764	79%	0.794	S	S	*	*			trans	-95.7	159.7	178.2	-23.4	177.7	0	0	0	111.5
1135	P	34.6	Very low	30.9	Very low	128 Å²	128	135.5 Å²	135.5	83%	0.831	79%	0.789	S	S	*	*				-147	178.1	99.6	38.8	-21.5	0	0	0	116.2
1136	N	29.6	Very low	30.8	Very low	147 Å²	147	133.7 Å²	133.7	79%	0.786	78%	0.782	S	S	*	*			trans	-87.6	155.7	-166.5	-52.5	-30.4	0	0	0	115.9
1137	S	34.4	Very low	31	Very low	125 Å²	125	135.9 Å²	135.9	87%	0.874	79%	0.786	S	S	*	*			trans	-156.4	132.2	134	-23.5	0	0	0	0	113.5
1138	S	30.2	Very low	31	Very low	114 Å²	114	134 Å²	134	80%	0.797	78%	0.784	S	S	*	*			trans	-53	144.9	179.1	49.5	0	0	0	0	119.6
1139	S	30.9	Very low	30.9	Very low	111 Å²	111	136.6 Å²	136.6	78%	0.776	79%	0.79	S	S	*	*				-170.7	135.7	114.2	28.4	0	0	0	0	115.4
1140	S	28.8	Very low	30.9	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	80%	0.795	S	S	*	*			trans	43.9	115	152.6	55.9	0	0	0	0	123.5
1141	S	27.7	Very low	30.8	Very low	107 Å²	107	140.9 Å²	140.9	75%	0.748	80%	0.795	S	S	*	*			trans	59.1	132	132	66.9	0	0	0	0	120.7
1142	L	29.1	Very low	30.7	Very low	166 Å²	166	145.8 Å²	145.8	87%	0.869	81%	0.805	S	S	*	*			cis	-133.5	162.2	1.5	-70.7	173	0	0	0	110
1143	F	26.1	Very low	30.6	Very low	192 Å²	192	140 Å²	140	84%	0.842	79%	0.787	S	S	*	*			trans	-138.6	167.5	174.7	-100.8	-82.4	0	0	0	111.2
1144	Y	31.6	Very low	30.6	Very low	204 Å²	204	138.8 Å²	138.8	80%	0.8	77%	0.772	S	S	*	*			trans	77.9	140.5	-179.3	-56.7	-82.8	0	0	0	115.5
1145	D	31.1	Very low	30.7	Very low	141 Å²	141	137.1 Å²	137.1	75%	0.754	76%	0.761	S	S	*	*			cis	-136	156	2.8	-138.6	-27.2	0	0	0	114.4
1146	S	28.4	Very low	30.6	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	76%	0.759	S	S	*	*			trans	-120.1	116.8	-170.1	-71.3	0	0	0	0	111.4
1147	N	31.6	Very low	30.8	Very low	152 Å²	152	139.6 Å²	139.6	81%	0.813	76%	0.762	S	S	*	*			trans	-144	87.2	178.2	-145.2	-15.9	0	0	0	113.4	L1149	N1147-L1149 PolarHBondContact O-N 3.21Å
1148	P	30.5	Very low	30.7	Very low	121 Å²	121	139.1 Å²	139.1	79%	0.786	75%	0.754	S	S	*	*			trans	-93.8	89.2	-171.7	35	-33.2	0	0	0	113.1
1149	L	26.6	Very low	30.7	Very low	144 Å²	144	145.1 Å²	145.1	75%	0.754	76%	0.759	S	S	*	*			trans	-145.1	140.8	173	-105	160.8	0	0	0	113.6	N1147	N1147-L1149 PolarHBondContact O-N 3.21Å
1150	M	30.9	Very low	30.8	Very low	158 Å²	158	146.1 Å²	146.1	78%	0.778	76%	0.761	S	S	*	*	S	Bend	trans	66	52.6	159.4	-72.3	167.5	43.9	0	0	120.3
1151	K	31.4	Very low	30.9	Very low	198 Å²	198	146.9 Å²	146.9	86%	0.861	77%	0.766	S	S	*	*			trans	-137.4	81.9	147.7	-77.7	-167.3	178.9	176.8	0	112.9
1152	L	29.7	Very low	31.1	Very low	165 Å²	165	145.6 Å²	145.6	86%	0.864	77%	0.77	S	S	*	*			trans	-155.1	68.4	166.9	-155.7	87.6	0	0	0	114.5
1153	V	33.6	Very low	31.2	Very low	89 Å²	89	143.3 Å²	143.3	54%	0.539	77%	0.767	S	S	.	*			trans	-143.9	106.4	155.9	-177.7	0	0	0	0	108.6
1154	D	34.1	Very low	31.4	Very low	91 Å²	91	141.8 Å²	141.8	49%	0.487	77%	0.767	S	S	.	*			trans	-149.6	113.4	130.9	-121.8	-26.9	0	0	0	115.3	N467 T1156	N467-D1154 PolarHBondContact ND2-OD2 3.05Å; D1154-T1156 PolarHBondContact O-N 3.06Å
1155	H	34.3	Very low	31.5	Very low	115 Å²	115	136.2 Å²	136.2	53%	0.532	76%	0.758	S	S	.	*			trans	-12.2	87.3	165.7	-57.1	-53.2	0	0	0	122.1	K1157	H1155-K1157 PolarHBondContact O-N 3.48Å
1156	T	32.6	Very low	31.5	Very low	129 Å²	129	138.9 Å²	138.9	79%	0.791	76%	0.763	S	S	*	*			trans	-78.8	95.4	148.6	43.7	0	0	0	0	111	D1154 V1158	D1154-T1156 PolarHBondContact O-N 3.06Å; T1156-V1158 VanDerWaalsContact C-N 3.29Å; T1156-V1158 PolarHBondContact O-N 3.11Å
1157	K	32.9	Very low	31.7	Very low	198 Å²	198	138.3 Å²	138.3	86%	0.861	76%	0.759	S	S	*	*			trans	-85.1	62.9	-175.7	-142.4	173.6	-166.2	171.4	0	112.9	H1155	H1155-K1157 PolarHBondContact O-N 3.48Å
1158	V	33.6	Very low	31.6	Very low	114 Å²	114	139.6 Å²	139.6	69%	0.691	76%	0.757	S	S	*	*			trans	-61.8	137.5	177	-178.5	0	0	0	0	110.7	T1156 T1160	T1156-V1158 VanDerWaalsContact C-N 3.29Å; T1156-V1158 PolarHBondContact O-N 3.11Å; V1158-T1160 HydrophobicContact CG1-CG2 4.23Å
1159	R	28.9	Very low	31.7	Very low	241 Å²	241	142.7 Å²	142.7	91%	0.909	76%	0.758	S	S	*	*			trans	-106.2	64.7	-170.8	-166.2	-173.8	-169.8	175.8	3.9	111.4	S1161	R1159-S1161 PolarHBondContact O-N 2.91Å
1160	T	34.4	Very low	31.8	Very low	132 Å²	132	142.7 Å²	142.7	81%	0.81	76%	0.759	S	S	*	*			trans	-74.1	112.4	178.7	34.1	0	0	0	0	112.1	V1158	V1158-T1160 HydrophobicContact CG1-CG2 4.23Å
1161	S	30.7	Very low	31.7	Very low	120 Å²	120	144.9 Å²	144.9	84%	0.839	76%	0.76	S	S	*	*			trans	-93.3	110.9	171.6	54.1	0	0	0	0	111.4	R1159	R1159-S1161 PolarHBondContact O-N 2.91Å
1162	G	30.3	Very low	31.5	Very low	80 Å²	80	146.3 Å²	146.3	83%	0.825	76%	0.76	S	S	*	*			trans	106.3	117.5	154.1	0	0	0	0	0	117
1163	S	32.6	Very low	31.5	Very low	118 Å²	118	143 Å²	143	83%	0.825	75%	0.75	S	S	*	*			trans	-141.5	151.6	134.9	94.4	0	0	0	0	110.6
1164	L	30.9	Very low	31.3	Very low	160 Å²	160	146.9 Å²	146.9	84%	0.838	76%	0.756	S	S	*	*			trans	-74.6	161.2	157.1	-86.5	71.4	0	0	0	107.9
1165	S	32.4	Very low	31.1	Very low	87 Å²	87	147 Å²	147	61%	0.608	76%	0.764	S	S	*	*			cis	-165.2	160.1	-7.9	54.4	0	0	0	0	110.5
1166	K	31.9	Very low	31	Very low	197 Å²	197	149.4 Å²	149.4	86%	0.857	78%	0.775	S	S	*	*			trans	59.4	141.1	156.4	-65.6	165.7	-176.7	173.6	0	116.4
1167	S	31.4	Very low	31.1	Very low	95 Å²	95	151.4 Å²	151.4	66%	0.664	78%	0.775	S	S	*	*			cis	-165.5	164	33	-149.6	0	0	0	0	114.6
1168	K	31.1	Very low	30.9	Very low	180 Å²	180	149.1 Å²	149.1	78%	0.783	77%	0.765	S	S	*	*			trans	75	119.9	150.4	-81.7	162.7	-178.5	173.4	0	121.2
1169	K	31.7	Very low	30.9	Very low	185 Å²	185	149.5 Å²	149.5	80%	0.804	76%	0.763	S	S	*	*			trans	79.1	114.1	144.6	-63.7	175.2	177.3	-176.5	0	118.6
1170	N	28.6	Very low	31	Very low	145 Å²	145	148.5 Å²	148.5	78%	0.775	78%	0.784	S	S	*	*				-152.3	135.8	98.9	-103.3	-21.9	0	0	0	114.5
1171	Y	28.7	Very low	30.9	Very low	203 Å²	203	149.4 Å²	149.4	80%	0.796	78%	0.783	S	S	*	*			trans	55.3	133.6	149	-88.2	-104.6	0	0	0	124.8
1172	R	27.7	Very low	30.9	Very low	228 Å²	228	150.9 Å²	150.9	86%	0.86	78%	0.78	S	S	*	*			trans	68.4	144.3	155.4	-84.3	177.9	173.4	-176.4	-3.4	117.2
1173	S	28.6	Very low	30.9	Very low	95 Å²	95	154.8 Å²	154.8	66%	0.664	78%	0.778	S	S	*	*			cis	-145.7	173.7	6.3	-97.6	0	0	0	0	112.4
1174	R	29.1	Very low	30.8	Very low	171 Å²	171	157 Å²	157	65%	0.645	78%	0.775	S	S	*	*			trans	8.8	145.1	149.8	-72	-179.4	172.9	-170.5	-5.2	119.4	H656	H656-R1174 PolarHBondContact CD2-NH1 3.27Å; H656-R1174 VanDerWaalsContact CD2-NH1 3.35Å; H656-R1174 PolarHBondContact NE2-NH1 3.2Å
1175	S	31.6	Very low	30.8	Very low	94 Å²	94	156.8 Å²	156.8	66%	0.657	77%	0.771	S	S	*	*			cis	-174.2	153.8	1.7	41.4	0	0	0	0	112.7
1176	H	32.1	Very low	30.7	Very low	165 Å²	165	161.5 Å²	161.5	76%	0.764	78%	0.782	S	S	*	*			trans	38	140.4	148.9	-79	-74.7	0	0	0	123.7
1177	Q	33.1	Very low	30.6	Very low	172 Å²	172	158.9 Å²	158.9	80%	0.804	78%	0.777	S	S	*	*			trans	68.2	152.9	151.3	-73.2	168.2	-87	0	0	117.1
1178	K	30.5	Very low	30.5	Very low	150 Å²	150	163.8 Å²	163.8	65%	0.652	79%	0.785	S	S	*	*			cis	-172.2	152.4	-34.6	-135.4	-176.1	157.5	-72.7	0	105.3
1179	D	31.9	Very low	30.5	Very low	122 Å²	122	162.5 Å²	162.5	65%	0.652	79%	0.785	S	S	*	*			trans	47.5	72.1	155.8	-42.4	-29.6	0	0	0	118
1180	T	32.4	Very low	30.4	Very low	220 Å²	220	160.5 Å²	160.5	100%	1.35	78%	0.784	S	S	*	*			trans	-161.1	0	135.8	1.9	0	0	0	0	111.2

Retrieved 1,180 of 1,180 residues in 1292.1 ms (Link to these results)

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